matter.farm

Computer-generated molecule database for public drug discovery. About this project.

These compounds may interact with:

Cyclin-dependent kinase 6

Potentially involved in: microcephaly; acquired metabolic disease; rheumatoid arthritis; cancer; ectopic tissue; chromosome aberrations; glioblastoma; leukemia, myelocytic, acute; mammary neoplasms, experimental; medulloblastoma; mental retardation; mild mental retardation; severe mental retardation (i.q. 20-34); vesico-ureteral reflux; hyperreflexia; agenesis of corpus callosum; chloracne; unilateral agenesis of kidney; pachygyria; malignant mesothelioma

Disease data sourced from Pharos.

Antagonist

FORMULA:C20H22N8O

SMILES: OCCn1c2cnccc2c2cnc(Nc3ccc(N4CCNCC4)cn3)nc21

BIRTHDAY: 2018-12-01T14:10:55.005012
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-12-01T14:10:55.015095
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=CC=C[C@]23C=NC=N[C@]13Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-12-01T14:10:55.025149
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C20H22N4O4

SMILES: CN(C)C(=O)Nc1ccc2c(c1)[C@@]1(CN(CCO)c3ncccc31)OC=CO2

BIRTHDAY: 2018-12-01T14:10:55.034770
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C27H28F2N4O

SMILES: CN(C)C(C)(C)[C@@]1(c2cccc(F)c2)CO[C@H]2C=CC=C[C@]21c1nnc(-c2cccc(F)c2)[nH]1

BIRTHDAY: 2018-12-01T14:10:55.046604
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C22H34FN3O3S

SMILES: CN(C)C(C)(C)[C@@]1(c2ccccc2F)C(=O)N(C2CCCC2)S(=O)(=O)N1C(C)(C)C

BIRTHDAY: 2018-12-01T14:10:55.057075
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@H]2N=CN=C(Nc3ccncc3N3CCNCC3)[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-12-01T14:10:55.067597
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C24H32N8O

SMILES: OC1(N2C[C@@H]3N=CN=C(Nc4ccncc4N4CCNCC4)[C@@]34C=CC=N[C@H]24)CCCCC1

BIRTHDAY: 2018-12-01T14:10:55.078497
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C27H26F2N4O

SMILES: CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2ccc(-c3nnc(-c4ccc(F)cc4)[nH]3)cc21

BIRTHDAY: 2018-12-01T14:10:55.088545
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:C19H20N4O3

SMILES: O=C1CC2=C[C@@]34C[C@H]5CN(CO5)[C@@]3(C=C2N1)c1ncccc1N4CCO

BIRTHDAY: 2018-12-01T14:10:55.098053
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H30N8O

SMILES: CN(C)CCC(=O)N[C@@H]1CCN(c2ncnc3c2ncn3-c2ccc(N(C)C)cc2)C1

BIRTHDAY: 2018-12-01T14:10:55.108386
ATC: P01A
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
Synthesis Plan
FORMULA:C27H27N5O4

SMILES: CC(C)NC(=O)c1nccc2c1COCc1cc(co1)-c1ccnc(n1)Nc1cccc(c1)COC2

BIRTHDAY: 2018-12-01T14:10:55.120255
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C19H17N5O2

SMILES: COc1cc(Nc2ncc3ccn(-c4ccncc4)c3n2)cc(OC)c1

BIRTHDAY: 2018-12-25T02:02:58.139844
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H22N2O4

SMILES: CC(C)NC[C@H](O)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1

BIRTHDAY: 2018-12-25T02:02:58.148316
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-12-25T02:02:58.158595
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C26H30ClN7O

SMILES: CC(C)Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)NCCCN(C)C)ccc12

BIRTHDAY: 2018-12-25T02:02:58.169379
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H26N2O3

SMILES: CC(C)NC[C@@H](O)COc1cccc(N2CC(=O)[C@@H]3C=CC=C[C@@H]32)c1

BIRTHDAY: 2018-12-25T02:02:58.177447
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C27H26F2N4O

SMILES: CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2ccc(-c3nnc(-c4ccc(F)cc4)[nH]3)cc21

BIRTHDAY: 2018-12-25T02:02:58.187738
ATC: D04A
- DERMATOLOGICALS
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
- ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
Synthesis Plan
FORMULA:C26H32ClN7O

SMILES: CC(C)NC1=N[C@@]2(Nc3ccc(Cl)cc3)C(=NCc3cccc(C(=O)NC(C)(C)N(C)C)c32)C=N1

BIRTHDAY: 2018-12-25T02:02:58.200567
ATC: G03X
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
Synthesis Plan
FORMULA:C26H32ClN7O

SMILES: CC(C)NC1=NC=N[C@@]2(Nc3ccc(Cl)cc3)C1=NCc1cccc(C(=O)NC(C)(C)N(C)C)c12

BIRTHDAY: 2018-12-25T02:02:58.213229
ATC: J02A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
- ANTIMYCOTICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-12-25T02:02:58.223545
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@H]2N=CN=C(Nc3ccncc3N3CCNCC3)[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-12-25T02:02:58.233854
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H44

SMILES: CC(C)(C)c1cc(C(C)(C)C(C)(C)C)cc(C(C)(C)C)c1C(C)(C)C

BIRTHDAY: 2018-12-25T02:02:58.250830
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C23H25N7O

SMILES: O[C@@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1

BIRTHDAY: 2018-12-25T02:02:58.261124
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H24FN5O

SMILES: CN(C)C(C)(C)[C@@]1(c2cccc(F)c2)COc2c1ccnc2-c1n[nH]cc1N

BIRTHDAY: 2018-12-25T02:02:58.281576
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C18H25N3O6S

SMILES: CC(C)NC[C@H](O)COc1ccc(NC(=O)C2=CC(=O)CCS(=O)(=O)N2)cc1

BIRTHDAY: 2018-12-25T02:02:58.291285
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@@]23C(Nc4ccncc4N4CCNCC4)=NC=N[C@H]2CN(C2CCCC2)[C@H]3N=C1

BIRTHDAY: 2018-12-03T02:39:01.862741
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@H]2N=CC=C[C@]23C=NC=N[C@]13Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-12-03T02:39:01.893314
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C19H19N5O2

SMILES: COc1cccc(OC)c1Nc1ncc2c(n1)CCN2c1ccccn1

BIRTHDAY: 2018-12-03T02:39:01.912255
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C20H22N2O4

SMILES: CC(C)NC[C@@H](O)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1

BIRTHDAY: 2018-12-03T02:39:01.920635
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C32H43ClN4O

SMILES: CN(C)CCCNC(=O)c1ccc2c(c1)N=C(Nc1cccc(Cl)c1)[C@H]1CCCCCCCCCC=C[C@H]21

BIRTHDAY: 2018-12-03T02:39:01.941023
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1CC[C@]23C=CC=N[C@]12N=CN=C3Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-12-03T02:39:01.961633
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C27H28F2N4O

SMILES: CN(C)C(C)(C)[C@]1(c2cccc(F)c2)CO[C@@H]2C=CC=C[C@]21c1nnc(-c2cccc(F)c2)[nH]1

BIRTHDAY: 2018-12-03T02:39:01.973584
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C17H28N6O4

SMILES: C[C@H](CCCN(C)C)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

BIRTHDAY: 2018-12-03T02:39:01.993496
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C7H15NOS

SMILES: CN1SCCOCC1(C)C

BIRTHDAY: 2018-12-03T02:39:01.998970
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C17H30N4O

SMILES: CC(C)Nc1cncc(NC(C)(C)C)c1C(=O)NC(C)(C)C

BIRTHDAY: 2018-12-03T02:39:02.006716
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C19H17N7O2

SMILES: O=C(NCCO)c1ccc(Nc2ncc3ccn(-c4cnccn4)c3n2)cc1

BIRTHDAY: 2018-11-30T03:40:59.099424
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C28H37N7O

SMILES: Cc1nc(N2CCCC[C@]2(c2ccccc2)C(C)(C)N(C)C)c2c(n1)nc1n2[C@@H]2C=CO[C@H](N1)[C@@H]2C

BIRTHDAY: 2018-11-30T03:40:59.133019
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@H]2N=CN=C(Nc3ccncc3N3CCNCC3)[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-30T03:40:59.153609
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C20H23F3N2O3

SMILES: CC(C)NC[C@H](O)COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1

BIRTHDAY: 2018-11-30T03:40:59.162525
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C24H35N7

SMILES: CC(C)n1cnc2c(N)nc(N3CCC(CCCN(C)C)(c4ccccc4)CC3)nc21

BIRTHDAY: 2018-11-30T03:40:59.171923
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-30T03:40:59.182154
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C17H30N4O

SMILES: CC(C)Nc1ccc(NC(C)(C)C)c(C(=O)NC(C)(C)C)n1

BIRTHDAY: 2018-11-30T03:40:59.189873
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@]23C=NC=N[C@]2(Nc2ccncc2N2CCNCC2)CN(C2CCCC2)[C@H]3N=C1

BIRTHDAY: 2018-11-30T03:40:59.200385
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C24H32N8O

SMILES: OC1(N2C[C@H]3N=C(Nc4ccncc4N4CCNCC4)N=C[C@@]34C=CC=N[C@H]24)CCCCC1

BIRTHDAY: 2018-11-30T03:40:59.221192
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C25H29ClN6O

SMILES: CC(C)Nc1ncc2c(n1)c(Nc1ccccc1Cl)nc1cc(OCCCN(C)C)ccc12

BIRTHDAY: 2018-11-30T03:40:59.239582
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@@]23C=CN=C[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.210469
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@]23C=CC=N[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.221293
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C24H28FN3O

SMILES: Cc1nn(C)cc1-c1ccc2c(c1)[C@](CCCN(C)C)(c1ccc(F)cc1)OC2

BIRTHDAY: 2018-11-19T08:17:36.230205
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@]23C(Nc4ccncc4N4CCNCC4)=NC=N[C@@H]2CN(C2CCCC2)[C@@H]3N=C1

BIRTHDAY: 2018-11-19T08:17:36.241892
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=CC=C[C@@]23C=NC=N[C@]13Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-11-19T08:17:36.254390
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C28H41N7O

SMILES: CC(C)n1cnc2c(N3CCOCC3)nc(N3CCC(CCCN(C)C)(c4ccccc4)CC3)nc21

BIRTHDAY: 2018-11-19T08:17:36.265111
ATC: G02C
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- OTHER GYNECOLOGICALS
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@@]23C=NC=N[C@@]2(Nc2ccncc2N2CCNCC2)CN(C2CCCC2)[C@@H]3N=C1

BIRTHDAY: 2018-11-19T08:17:36.275812
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@]23C=NC(Nc4ccncc4N4CCNCC4)=N[C@H]2CN(C2CCCC2)[C@H]3N=C1

BIRTHDAY: 2018-11-19T08:17:36.286612
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-19T08:17:36.296895
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C17H30N4O

SMILES: CC(C)Nc1cc(NC(C)(C)C)cc(C(=O)NC(C)(C)C)n1

BIRTHDAY: 2018-11-19T08:17:36.304655
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C18H20FN5O2

SMILES: O=C(Nc1[nH]nc2c1N(C(=O)[C@H]1CCCNC1)CC2)c1cccc(F)c1

BIRTHDAY: 2018-11-19T08:17:36.314230
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C29H37N7O2

SMILES: CC(C)NC[C@@H](O)COc1ccccc1N1C=N[C@@]2(NCc3ccc4c(c3)C3CCN4CC3)C=NC=N[C@@H]12

BIRTHDAY: 2018-11-19T08:17:36.326329
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@@]23C=NC=C[C@@H]13

BIRTHDAY: 2018-11-19T08:17:36.337088
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C21H21FN6S

SMILES: Fc1ccccc1CNc1ncnc2nc(Nc3ccsc3)n(C3CCCC3)c12

BIRTHDAY: 2018-11-19T08:17:36.347084
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C27H26F2N4O

SMILES: CN(C)C(C)(C)[C@@]1(c2cccc(F)c2)COc2cccc(-c3nnc(-c4ccccc4F)[nH]3)c21

BIRTHDAY: 2018-11-19T08:17:36.369026
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C20H27N3O5S

SMILES: CC(C)NC[C@@H](O)COc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O

BIRTHDAY: 2018-11-19T08:17:36.378877
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@]23C(Nc4ccncc4N4CCNCC4)=NC=N[C@H]2CN(C2CCCC2)[C@H]3N=C1

BIRTHDAY: 2018-11-19T08:17:36.389572
ATC: P02C
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTINEMATODAL AGENTS
Synthesis Plan
FORMULA:C17H12FNO3S2

SMILES: O=c1sc(NCc2ccc(F)cc2)c(-c2ccc3c(c2)OCO3)s1

BIRTHDAY: 2018-11-19T08:17:36.398455
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C27H28F2N4O

SMILES: C[C@@H](CN(C)C)[C@@]1(c2cccc(F)c2)OC[C@@H]2C=CC(c3nnc(-c4ccc(F)cc4)[nH]3)=C[C@H]21

BIRTHDAY: 2018-11-19T08:17:36.418872
ATC: P02B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTHELMINTICS
- ANTITREMATODALS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.429560
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.439570
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C17H20F3NO3S

SMILES: CC(C)[C@H](C)[C@@]1(C)CSCN(c2c(F)cc(F)c(F)c2C(=O)O)C1=O

BIRTHDAY: 2018-11-19T08:17:36.448838
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C22H19N3O

SMILES: N#Cc1cccc(Nc2ccccc2C(=O)NCCc2ccccc2)c1

BIRTHDAY: 2018-11-19T08:17:36.456788
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H22N4O2

SMILES: O=C(NC1CCN(Cc2ccc3[nH]ncc3c2)CC1)c1cccc(O)c1

BIRTHDAY: 2018-11-19T08:17:36.465296
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@H]2N=CC=C[C@]23C=NC=N[C@@]13Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-11-19T08:17:36.475497
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C23H25N7O

SMILES: O[C@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1

BIRTHDAY: 2018-11-19T08:17:36.485992
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C30H32N6O

SMILES: CN(C)CCC[C@@H](NC(=O)c1cccc(Nc2ncnc3c4ccccc4n(C)c23)c1)c1ccccc1

BIRTHDAY: 2018-11-19T08:17:36.507093
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-19T08:17:36.517392
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C22H30N6O

SMILES: CC(C)c1ccccc1N[C@@]12C=CC=N[C@]1(N[C@@H](C)N1CCOCC1)N=CN=C2

BIRTHDAY: 2018-11-19T08:17:36.527064
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C20H25FN2O3

SMILES: CC(C)(C)NC[C@@H](O)COc1cccc(NC(=O)c2cccc(F)c2)c1

BIRTHDAY: 2018-11-19T08:17:36.535405
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C24H35N7

SMILES: CC(C)n1cnc2nc(N)nc(N3CCCC[C@@]3(c3ccccc3)C(C)(C)N(C)C)c21

BIRTHDAY: 2018-11-19T08:17:36.546248
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@@]23C=NC=N[C@@]2(Nc2cccnc2N2CCNCC2)CN(C2CCCC2)[C@@H]3N=C1

BIRTHDAY: 2018-11-19T08:17:36.556946
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C33H31N9O

SMILES: OCCn1c2cnccc2c2cnc(N3CC=CCCNc4cccc(c4)-c4ccnc(n4)Nc4cccc(c4)C3)nc21

BIRTHDAY: 2018-11-19T08:17:36.590711
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H24N2O4

SMILES: CC(C)NC[C@@H](O)COc1ccccc1N1C(=O)C(=O)[C@@H]2C=CC=C[C@@H]21

BIRTHDAY: 2018-11-19T08:17:36.599513
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.609364
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.619552
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H23Cl2FN2O

SMILES: CN(C)C(C)(C)[C@@H](CNC(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1

BIRTHDAY: 2018-11-19T08:17:36.628478
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@H]2N=CC=C[C@@]23N=CN=C[C@]13Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-11-19T08:17:36.639075
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C20H27N3O5S

SMILES: CC(C)NC[C@@H](O)COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1

BIRTHDAY: 2018-11-19T08:17:36.648593
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@]23C=NC(Nc4ccncc4N4CCNCC4)=N[C@@H]2CN(C2CCCC2)[C@H]3N=C1

BIRTHDAY: 2018-11-19T08:17:36.658919
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis Plan
FORMULA:C27H26F2N4O

SMILES: CN(C)C(C)(C)[C@]1(c2cccc(F)c2)COc2c(-c3nnc(-c4cccc(F)c4)[nH]3)cccc21

BIRTHDAY: 2018-11-19T08:17:36.670592
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=CC=C[C@]23C=NC=N[C@@]13Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-11-19T08:17:36.701892
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C28H30FN3O2

SMILES: CN(C)CC[C@H]1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2F)c2ccccc2C1

BIRTHDAY: 2018-11-19T08:17:36.711797
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=CC=C[C@]23C(Nc2ccncc2N2CCNCC2)=NC=N[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.722070
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C17H30N4O

SMILES: CC(C)Nc1cc(NC(C)(C)C)c(C(=O)NC(C)(C)C)cn1

BIRTHDAY: 2018-11-19T08:17:36.729714
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H28N8

SMILES: C1=C[C@@H]2c3c(Nc4cccnc4N4CCNCC4)ncnc3N(C3CCCC3)[C@@H]2N=C1

BIRTHDAY: 2018-11-19T08:17:36.740152
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-19T08:17:36.750134
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C27H26N8O3S

SMILES: O=C(c1ccccc1Nc1ncc2c(n1)C(c1ccn[nH]1)=CCC2)N1CCC[C@@H]1NS(=O)(=O)c1ccncc1

BIRTHDAY: 2018-11-19T08:17:36.763204
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@@]2(Nc3cccnc3N3CCNCC3)N=CN=C[C@@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-19T08:17:36.773839
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C26H30FN7O

SMILES: CC(C)Nc1ncc2c(n1)c(Nc1ccccc1F)nc1cc(C(=O)NCCCN(C)C)ccc12

BIRTHDAY: 2018-11-19T08:17:36.784727
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-19T08:17:36.794684
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C23H29FN4O

SMILES: Cc1c(N)n[nH]c1[C@]12C=CC=C[C@H]1OC[C@@]2(c1cccc(F)c1)C(C)(C)N(C)C

BIRTHDAY: 2018-11-19T08:17:36.804887
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C29H38N6O

SMILES: C1=CCN([C@@]23N=CN=C[C@H]2N(C2CCCC2)[C@H]2C=NC=C[C@H]23)CCCNCCc2ccc(cc2)OC1

BIRTHDAY: 2018-11-19T08:17:36.816728
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=CN=C(Nc3ccncc3N3CCNCC3)[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-11-19T08:17:36.827041
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@]23C=NC=N[C@]2(Nc2cnccc2N2CCNCC2)CN(C2CCCC2)[C@@H]3N=C1

BIRTHDAY: 2018-11-19T08:17:36.837743
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C15H16N6O2

SMILES: CC(C)n1c2cnccc2c2cnc(NC3=[N+]([O-])CCO3)nc21

BIRTHDAY: 2018-11-19T08:17:36.846704
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@H]2N=CC=C[C@@]23C=NC=N[C@@]13Nc1ccncc1N1CCNCC1

BIRTHDAY: 2018-11-19T08:17:36.856809
ATC: C05C
- CARDIOVASCULAR SYSTEM
- VASOPROTECTIVES
- CAPILLARY STABILIZING AGENTS
Synthesis Plan
FORMULA:C23H25N7O

SMILES: O[C@H]1CCN(c2ccc(Nc3ncc4c5cccnc5n(C5CCCC5)c4n3)cn2)C1

BIRTHDAY: 2018-11-19T08:17:36.867172
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C24H35N7

SMILES: CC(C)n1cnc2nc(N)nc(N3CCCC[C@]3(c3ccccc3)C(C)(C)N(C)C)c21

BIRTHDAY: 2018-11-30T17:23:20.811659
ATC: C08D
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
Synthesis Plan
FORMULA:C26H30ClN7O

SMILES: CC(C)Nc1ncc2c(n1)c(Nc1ccccc1Cl)nc1cc(C(=O)NCCCN(C)C)ccc12

BIRTHDAY: 2018-11-30T17:23:20.822232
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H21N3O

SMILES: CC(C)(NC(=O)c1ccccc1-c1ccccc1)Nc1ccccc1C#N

BIRTHDAY: 2018-11-30T17:23:20.830636
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C29H38N4O4

SMILES: COc1cccc(NC2=CCOC(N3CCN(C(=O)C(C)(C)C)CCCCNc4cccc3c4)=CO2)c1

BIRTHDAY: 2018-11-30T17:23:20.841175
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C20H24N2O4

SMILES: CC(C)NC[C@H](O)COc1ccccc1N1C(=O)C(=O)[C@H]2C=CC=C[C@H]21

BIRTHDAY: 2018-11-30T17:23:20.859924
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-30T17:23:20.871095
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@@]2(Nc3ccncc3N3CCNCC3)N=CN=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-11-30T17:23:20.881617
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C27H26F2N4O

SMILES: CN(C)C(C)(C)[C@]1(c2cccc(F)c2)COc2cccc(-c3nnc(-c4cccc(F)c4)[nH]3)c21

BIRTHDAY: 2018-11-30T17:23:20.894253
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C20H22ClN5O

SMILES: CC(=O)Nc1ccc(-c2cnc3c(NC4CCCCC4)nc(Cl)cn23)cc1

BIRTHDAY: 2018-11-30T17:23:20.903595
ATC: B01A
- BLOOD AND BLOOD FORMING ORGANS
- ANTITHROMBOTIC AGENTS
- ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:C23H27N7O

SMILES: O[C@@H]1CCCN1c1ncccc1Nc1ncnc2c1N(C1CCCC1)[C@H]1C=CN=C[C@H]21

BIRTHDAY: 2018-11-30T17:23:20.914309
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C19H19N5

SMILES: N#Cc1cccc(Nc2ncc(C3CCCCC3)n3cncc23)c1

BIRTHDAY: 2018-11-30T17:23:20.922277
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C16H18N4O2

SMILES: O=C1N(c2ccccc2)N[C@H]2CN(CCO)[C@H]3C=CN=C[C@]132

BIRTHDAY: 2018-11-30T17:23:20.930501
ATC: A03A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Synthesis Plan
FORMULA:C20H29N3O3

SMILES: CN(C)CCC[C@]1(c2ccccc2)NN2C3(O)C[C@@H]4CC2(C[C@@H](C3)O4)O1

BIRTHDAY: 2018-11-30T17:23:20.939396
ATC: J01G
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- AMINOGLYCOSIDE ANTIBACTERIALS
Synthesis Plan
FORMULA:C19H24FN5

SMILES: CN(C)C(C)(C)[C@]1(c2ccccc2)NN=N[C@]1(N)c1cccc(F)c1

BIRTHDAY: 2018-12-02T16:06:28.959277
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C15H15F3N6O2

SMILES: C[C@H](O)NC(=O)c1cccc(F)c1N[C@]12NC=C(C(F)F)C1=NC=NN2

BIRTHDAY: 2018-12-02T16:06:28.980312
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@@H]2N=CN=C(Nc3ccncc3N3CCNCC3)[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-12-02T16:06:28.991288
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C26H31N9

SMILES: N[C@@H]1CN(c2ccccc2Nc2ncnc3nc(Nc4ccccc4)n(C4CCCC4)c23)CCN1

BIRTHDAY: 2018-12-02T16:06:29.003286
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C24H35N7

SMILES: CC(C)n1cnc2c(N3CCC(CCCN(C)C)(c4ccccc4)CC3)nc(N)nc21

BIRTHDAY: 2018-12-02T16:06:29.022690
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C26H32ClN7O

SMILES: CC(C)NC1=N[C@]2(Nc3ccc(Cl)cc3)C(=NCc3c(C(=O)NC(C)(C)N(C)C)cccc32)C=N1

BIRTHDAY: 2018-12-02T16:06:29.033923
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C19H19N7O3

SMILES: CNC(=O)c1cc(Nc2ncc3ccn(-c4cn[nH]c4)c3n2)c(OC)cc1OC

BIRTHDAY: 2018-12-02T16:06:29.044549
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H30N6O3S

SMILES: C[C@H](O)N1[C@@H]2N=CC=C[C@H]2[C@]23C(O)=CC=C4CN(CCNCCOC=C5CNCC2=N5)S[C@@]413

BIRTHDAY: 2018-12-02T16:06:29.067185
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C19H19N7O3

SMILES: CNC(=O)c1cc(Nc2ncc3ccn(-c4cn[nH]c4)c3n2)c(OC)c(OC)c1

BIRTHDAY: 2018-12-02T16:06:29.087764
ATC: H01A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- ANTERIOR PITUITARY LOBE HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C21H24FNO3

SMILES: CN(C)C(C)(C)[C@@]1(c2cccc(F)c2)CO[C@H]2OC=C[C@@]21c1ccoc1

BIRTHDAY: 2018-12-02T16:06:29.097092
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C32H38ClN9O

SMILES: CN(C)C(C)(C)[C@]1(N2CN[CH-]c3cccc(c3)CN3CC=CC(=N3)c3cnn(c3)CC2=O)CCN=[N+]1c1ccc(Cl)cc1

BIRTHDAY: 2018-12-02T16:06:29.112650
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C19H17N5O2

SMILES: COc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1

BIRTHDAY: 2018-12-02T16:06:29.121937
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H28N8

SMILES: C1=C[C@@H]2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3N(C3CCCC3)[C@@H]2N=C1

BIRTHDAY: 2018-12-03T10:42:50.775711
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C27H30F3N7O

SMILES: CC(C)Nc1ncc2c(n1)c(Nc1cccc(C(F)(F)F)c1)nc1cc(C(=O)NCCCN(C)C)ccc12

BIRTHDAY: 2018-12-03T10:42:50.787466
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H24F3N3O3

SMILES: CN(C)C(C)(C)NC(=O)c1cccc2c1CN=C1C[C@@H]3O[C@H](OC=C3C(F)(F)F)[C@@H]12

BIRTHDAY: 2018-12-03T10:42:50.814600
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C26H32ClN7O

SMILES: CC(C)N[C@@]12N=CN=CC1=N[C@H](Nc1ccccc1Cl)c1c(C(=O)NC(C)(C)N(C)C)cccc12

BIRTHDAY: 2018-12-03T10:42:50.846076
ATC: G03G
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- GONADOTROPINS AND OTHER OVULATION STIMULANTS
Synthesis Plan
FORMULA:C20H27N3O5S

SMILES: CC(C)NC[C@@H](O)COc1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1

BIRTHDAY: 2018-12-03T10:42:50.855562
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C12H14N6O2Si

SMILES: C[C@@H](O)N1c2ccccc2[SiH2][C@@]23N=NN[C@]12N=CNC3=O

BIRTHDAY: 2018-12-03T10:42:50.875546
ATC: L02B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ENDOCRINE THERAPY
- HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@H](O)N1C[C@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-12-03T19:11:15.784618
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H29FN6OS2

SMILES: CN(C)CCC[C@@]1(c2ccc(F)cc2)Cc2ccc(-c3nnc([C@]45CN[C@H](CN4)SS5)[nH]3)cc2O1

BIRTHDAY: 2018-12-03T19:11:15.795998
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C20H22N8O

SMILES: OCCn1c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2c2cccnc21

BIRTHDAY: 2018-12-03T19:11:15.816138
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@H]2N=C(Nc3ccncc3N3CCNCC3)N=C[C@]23C=CC=N[C@H]13

BIRTHDAY: 2018-12-03T19:11:15.826496
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H28N4O

SMILES: CC(C)Nc1ccc(NC(C)C)c(C(=O)NC(C)(C)C)n1

BIRTHDAY: 2018-12-03T19:11:15.854602
ATC: S01L
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OCULAR VASCULAR DISORDER AGENTS
Synthesis Plan
FORMULA:C21H19N5O2

SMILES: O=C(NCCO)c1cccc(Nc2ncnn3ccc(-c4ccccc4)c23)c1

BIRTHDAY: 2018-12-03T19:11:15.891705
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H28F2N4O

SMILES: CN(C)C(C)(C)[C@@]1(c2cccc(F)c2)CO[C@H]2C=CC=C[C@@]21c1nnc(-c2ccccc2F)[nH]1

BIRTHDAY: 2018-12-03T19:11:15.903711
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H26N8O

SMILES: C[C@@H](O)N1C[C@H]2N=CN=C(Nc3ccncc3N3CCNCC3)[C@@]23C=CC=N[C@H]13

BIRTHDAY: 2018-12-03T19:11:15.924564
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C20H27N9

SMILES: CC(C)N1C[C@@]2(Nc3cnncc3N3CCNCC3)N=CN=C[C@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-12-03T19:11:15.944957
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@@]23C=NC=N[C@@]2(Nc2ccncc2N2CCNCC2)CN(C2CCCC2)[C@H]3N=C1

BIRTHDAY: 2018-12-01T22:30:20.788293
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C18H26N4O2

SMILES: C[C@H]1O[C@@H](c2ccc3[nH]nc(N)c3c2)N(C(C)(C)C)[C@@H]2CC[C@@H]1O2

BIRTHDAY: 2018-12-01T22:30:20.797084
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H28Cl2N6O

SMILES: CN(C)CCCC(=O)NC1CCN(c2cncnc2Nc2cc(Cl)cc(Cl)c2)CC1

BIRTHDAY: 2018-12-01T22:30:20.806885
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H24N8

SMILES: CC(C)n1c2ncccc2c2cnc(Nc3cncc(N4CCNCC4)c3)nc21

BIRTHDAY: 2018-12-01T22:30:20.827036
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1C[C@@]2(Nc3cccnc3N3CCNCC3)N=CN=C[C@@]23C=CC=N[C@@H]13

BIRTHDAY: 2018-12-01T22:30:20.858206
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C20H19ClN6O2

SMILES: C[C@H](O)NC(=O)c1ccccc1N[C@]12NC=C(c3cccc(Cl)c3)C1=NC=NN2

BIRTHDAY: 2018-12-01T22:30:20.868209
ATC: C03C
- CARDIOVASCULAR SYSTEM
- DIURETICS
- HIGH-CEILING DIURETICS
Synthesis Plan
FORMULA:C21H28N8

SMILES: CC(C)N1[C@H]2N=C(Nc3ccc(N4CCNCC4)nc3)N=C[C@H]2[C@H]2C=CC=N[C@H]21

BIRTHDAY: 2018-12-01T22:30:20.878075
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C23H30N8

SMILES: C1=C[C@]23C=NC(Nc4cccnc4N4CCNCC4)=N[C@@H]2CN(C2CCCC2)[C@@H]3N=C1

BIRTHDAY: 2018-12-01T22:30:20.888275
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C27H28F2N4O

SMILES: CN(C)CCC[C@]1(c2ccccc2F)C[C@H]2C=CC=C[C@@]2(c2nnc(-c3ccccc3F)[nH]2)O1

BIRTHDAY: 2018-12-01T22:30:20.898686
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan