matter.farm

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

These compounds may interact with:

Beta-1 adrenergic receptor

Potentially involved in: essential hypertension; lipid storage disease; heart disease; hypertension; coronary artery disease; cerebrovascular disease; birth weight; cardiomyopathy, dilated; cardiovascular diseases; mental depression; depressive disorder; diabetes mellitus; heart failure; hyperemia; hypertensive disease; myocardial reperfusion injury; obesity; stomach neoplasms; myocardial ischemia; ventricular dysfunction

Disease data sourced from Pharos.

Ligand

FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1ccc(CCNC[C@@H](O)COc2ccc(O)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:04.341472
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C17H26N2O4

SMILES: CC(C)CC(C)(C)NC[C@@H](O)c1c(O)ccc2c1OC(=O)CN2

BIRTHDAY: 2018-12-01T14:11:04.349518
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C22H21F3N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)c1ccncc1

BIRTHDAY: 2018-12-01T14:11:04.360043
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C18H24N2O5S

SMILES: C[C@@H](NC[C@@H](O)COc1ccccc1O)c1ccccc1NS(C)(=O)=O

BIRTHDAY: 2018-12-01T14:11:04.369100
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C19H30N2O4

SMILES: CC(C)C[C@@H](C)C(C)(C)NC[C@@H](O)c1cc(O)cc2c1NCC(=O)O2

BIRTHDAY: 2018-12-01T14:11:04.377179
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1ccccc1[C@H](C)NC[C@H](O)COc1ccccc1O

BIRTHDAY: 2018-12-01T14:11:04.385705
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C19H30N2O4

SMILES: CC(C)C[C@@H](C)C(C)(C)NC[C@@H](O)c1cc2c(cc1O)OC(=O)CN2

BIRTHDAY: 2018-12-01T14:11:04.393845
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C20H21N3O7

SMILES: O=C1COc2c([C@H](O)CNCCc3ccc(NC(=O)C(=O)O)cc3)ccc(O)c2N1

BIRTHDAY: 2018-12-01T14:11:04.403954
ATC: B02B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- VITAMIN K AND OTHER HEMOSTATICS
Synthesis Plan
FORMULA:C22H26N8O2

SMILES: NC(N)(Cc1ccccc1NC(=O)C1(c2ccccc2)NNNN1)[C@@H](O)c1ccncc1

BIRTHDAY: 2018-12-01T14:11:04.415331
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C22H28F3NO2

SMILES: CC(C)C[C@H](O)[C@H](O)CNCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:04.423692
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C17H26N2O4

SMILES: CC(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2c1NCC(=O)O2

BIRTHDAY: 2018-12-01T14:11:04.431891
ATC: R01A
- RESPIRATORY SYSTEM
- NASAL PREPARATIONS
- DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1cccc(CCNC[C@H](O)COc2cccc(O)c2)c1

BIRTHDAY: 2018-12-01T14:11:04.448857
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C31H54O7

SMILES: CC(C)C[C@@H](C)C(C)(C)c1c(C(C)(C)C)cccc1C(C)(C)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O

BIRTHDAY: 2018-12-01T14:11:04.460380
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C42H59N3O3

SMILES: CC(C)CC(C)(C)NC[C@@H](O)c1ccc2c(c1O)C1=NC2=Cc2ccc([nH]2)CCCCC=CCCCCCCCCCCc2ccc1o2

BIRTHDAY: 2018-12-01T14:11:04.472372
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1ccccc1[C@@H](C)NC[C@@H](O)COc1ccccc1O

BIRTHDAY: 2018-12-01T14:11:04.480938
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C28H28N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)[C@@H](O)c1ccccn1

BIRTHDAY: 2018-12-01T14:11:04.491105
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1

BIRTHDAY: 2018-12-01T14:11:04.509956
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C28H46O3

SMILES: CC(C)C[C@@H](C)C(C)(C)c1ccc(C(C)(C)CC[C@H](O)/C=C/C(=O)O)c(C(C)(C)C)c1

BIRTHDAY: 2018-12-25T02:03:07.828376
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C19H30N2O4

SMILES: CC(C)C[C@@H](C)C(C)(C)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2

BIRTHDAY: 2018-12-25T02:03:07.836587
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C17H17ClN2OS

SMILES: O[C@@H](CNC1=Nc2ccccc2CCS1)c1ccc(Cl)cc1

BIRTHDAY: 2018-12-25T02:03:07.844374
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C23H23N3O4

SMILES: O=C(O)c1ccccc1C(=O)Nc1ccc(CCNC[C@@H](O)c2cccnc2)cc1

BIRTHDAY: 2018-12-25T02:03:07.853717
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C17H19N3O6

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@@H](O)c1c(O)cccc1O

BIRTHDAY: 2018-12-25T02:03:07.863823
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C21H26N2O5

SMILES: COc1ccccc1CC(C)(C)NC[C@H](O)c1cc(O)c2c(c1)OC(=O)CN2

BIRTHDAY: 2018-12-25T02:03:07.872930
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C19H30N2O4

SMILES: CC(C)C[C@H](C)C(C)(C)NC[C@H](O)c1cc2c(cc1O)NCC(=O)O2

BIRTHDAY: 2018-12-25T02:03:07.889680
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C29H29N3O2

SMILES: O=C(Nc1ccc(CCNC[C@@H](O)c2cccnc2)cc1)C(c1ccccc1)c1ccccc1

BIRTHDAY: 2018-12-25T02:03:07.899157
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1ccccc1[C@H](C)NC[C@@H](O)COc1ccccc1O

BIRTHDAY: 2018-12-25T02:03:07.916239
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C28H28N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)[C@H](O)c1ccccn1

BIRTHDAY: 2018-12-25T02:03:07.926584
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H27N3O3S

SMILES: O=S(=O)(NCCCCNC[C@@H](O)c1cccnc1)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-12-25T02:03:07.935813
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C27H26N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccncc1

BIRTHDAY: 2018-12-25T02:03:07.946087
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C31H30N4O3

SMILES: O=C(Nc1ccc(CCNC[C@@H](O)c2cccnc2)cc1)c1ccccc1C1=Nc2ccccc2OCC1

BIRTHDAY: 2018-12-25T02:03:07.957134
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C19H28N2O2S

SMILES: CC(C)CC1=CNCSc2ccc(OCCN3CCOCC3)cc21

BIRTHDAY: 2018-12-25T02:03:07.974617
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C40H50N4O3

SMILES: CC(C)CC(=O)Nc1ccccc1[C@@H](C)NC[C@H](O)COc1cc2cc(c1)C1=NC(=Cc3ccc([nH]3)CCCCC=CCCC2)C=C1

BIRTHDAY: 2018-12-25T02:03:07.987044
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:C22H21F3N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](O)c1ccncc1

BIRTHDAY: 2018-12-03T02:39:11.398515
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C20H33NO3

SMILES: C[C@H](C[C@H](O)CNCCCCCCCCC(=O)O)c1ccccc1

BIRTHDAY: 2018-12-03T02:39:11.405616
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C13H16N2O4S5

SMILES: O=C(O)C(=O)Nc1cccc(CCNC[C@]2(O)CSSSSS2)c1

BIRTHDAY: 2018-12-03T02:39:11.433647
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C20H24N2OS

SMILES: Cc1cccnc1COc1ccc2c(c1)C=C(CC(C)C)NCS2

BIRTHDAY: 2018-12-03T02:39:11.441209
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C28H46O3

SMILES: C=C(C(=O)O)[C@@H](O)[C@@H](C)C(C)(C)c1cccc(C(C)(C)[C@@H](C)CC(C)C)c1C(C)(C)C

BIRTHDAY: 2018-12-03T02:39:11.460122
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H22F3N3O2

SMILES: O=C(Nc1ccc(CCNC[C@@H](O)c2cccnc2)cc1)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-12-03T02:39:11.469819
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C27H26N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](O)c1ccncc1

BIRTHDAY: 2018-12-03T02:39:11.479995
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C23H23N3O4

SMILES: C[C@H](NC[C@H](O)c1ccccn1)c1ccccc1NC(=O)c1ccc(C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:39:11.489255
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C26H32N2O7

SMILES: COc1ccc(CC(C)(C)NC[C@H](O)c2cc3c(cc2O)OC[C@H]2C(C(=O)O)=COCCN32)cc1

BIRTHDAY: 2018-12-03T02:39:11.508584
ATC: R03C
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C18H20F3N3O4

SMILES: NC(N)(Cc1ccccc1NC(=O)C(F)(F)F)[C@H](O)COc1ccccc1O

BIRTHDAY: 2018-12-03T02:39:11.518954
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C19H20N4O7

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@@H](O)c1cc(O)cc2c1NCC(=O)O2

BIRTHDAY: 2018-12-03T02:39:11.558600
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C19H20N4O7

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@@H](O)c1ccc(O)c2c1NCC(=O)O2

BIRTHDAY: 2018-11-30T03:41:08.516875
ATC: D02B
- DERMATOLOGICALS
- EMOLLIENTS AND PROTECTIVES
- PROTECTIVES AGAINST UV-RADIATION
Synthesis plan pending
FORMULA:C6H11NS

SMILES: CC1=CSCCCN1

BIRTHDAY: 2018-11-30T03:41:08.531851
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis plan pending
FORMULA:C23H22F3N3O2

SMILES: O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T03:41:08.558104
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis plan pending
FORMULA:C18H20N2O6

SMILES: O=C(O)C(=O)Nc1ccc(CCNC[C@@H](O)c2ccc(O)c(O)c2)cc1

BIRTHDAY: 2018-11-30T03:41:08.567105
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis plan pending
FORMULA:C17H26N2O4

SMILES: CC(C)CC(C)(C)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2

BIRTHDAY: 2018-11-30T03:41:08.575023
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis plan pending
FORMULA:C29H29N3O2

SMILES: O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)C(c1ccccc1)c1ccccc1

BIRTHDAY: 2018-11-30T03:41:08.584341
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis plan pending
FORMULA:C28H46O3

SMILES: CC(C)C[C@H](C)C(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)CC[C@@H](O)/C=C\C(=O)O)c1

BIRTHDAY: 2018-11-30T03:41:08.592101
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis plan pending
FORMULA:C19H35NO5

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

BIRTHDAY: 2018-11-30T03:41:08.636357
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 pending
FORMULA:C35H62BNO5

SMILES: CC1=C([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)CCC(C)(C)c2ccc(C(C)(C)[C@@H](C)CC(C)C)cc2C(C)(C)C)BNCC1

BIRTHDAY: 2018-11-30T03:41:08.648291
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis plan pending
FORMULA:C19H20N4O7

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@H](O)c1c(O)ccc2c1NCC(=O)O2

BIRTHDAY: 2018-11-19T08:15:14.634528
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C17H26N2O4

SMILES: CC(C)CC(C)(C)NC[C@@H](O)c1cc(O)c2c(c1)OC(=O)CN2

BIRTHDAY: 2018-11-19T08:15:14.642328
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C23H37N3O2

SMILES: C[C@H](CC(C)(C)C)C(C)(C)c1ccccc1[C@@]1(C)[C@@H]2NC[C@@H]1[C@](N)(C(=O)O)N2

BIRTHDAY: 2018-11-19T08:15:14.651456
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C39H50N6O4

SMILES: CC(C)CC(=O)Nc1cccc(CCNC[C@@H](O)[C@]2(O)Cn3cnc(c3)CCNCc3cccc(c3)OCC=C2NCc2ccccc2)c1

BIRTHDAY: 2018-11-19T08:15:14.664883
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H26N2O4

SMILES: CC(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2

BIRTHDAY: 2018-11-19T08:15:14.672733
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C30H31N5O3

SMILES: CC(C)CC(=O)Nc1ccc2c3cc(cc2c1)COCC=CCOCc1cncc(c1)-c1ccnc(n1)N3

BIRTHDAY: 2018-11-19T08:15:14.683661
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H21F3N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)c1ccccc1C(F)(F)F)[C@@H](O)c1ccccn1

BIRTHDAY: 2018-11-19T08:15:14.693829
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C19H20N4O7

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@H](O)c1cc(O)cc2c1NCC(=O)O2

BIRTHDAY: 2018-11-19T08:15:14.704228
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C22H32N2O5S

SMILES: CCCCCOc1ccc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

BIRTHDAY: 2018-11-19T08:15:14.713356
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C18H20N2O6

SMILES: O=C(O)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c(O)c2)cc1

BIRTHDAY: 2018-11-19T08:15:14.722081
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C22H21F3N4O2

SMILES: NC(N)(Cc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)[C@@H](O)c1cccnc1

BIRTHDAY: 2018-11-19T08:15:14.732087
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C14H28N2O5

SMILES: C[C@@H](C[C@H](O)C(N)(N)C(C)(C)C(C)(C)CC(=O)O)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.749707
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@H](CC[C@@H](C)NC[C@@H](O)c1cc2[nH]c(=O)ccc2cc1O)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.768545
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:C31H38N4O2

SMILES: O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)C1(c2ccccc2)C[C@@H]2CC[C@H](CNC2)C1

BIRTHDAY: 2018-11-19T08:15:14.780127
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C23H22F3N3O2

SMILES: C[C@H](NC[C@H](O)c1cccnc1)c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1

BIRTHDAY: 2018-11-19T08:15:14.798207
ATC: C08E
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
Synthesis Plan
FORMULA:C23H27NO5

SMILES: CC(C)C[C@H](Cc1ccccc1C(=O)N[C@@H](C)c1cccc(C(=O)O)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.807034
ATC: C03X
- CARDIOVASCULAR SYSTEM
- DIURETICS
- OTHER DIURETICS
Synthesis Plan
FORMULA:C19H32N2O3

SMILES: C[C@H](C[C@H](O)C(N)(N)C(C)(C)C(C)(C)CC(=O)O)c1ccccc1

BIRTHDAY: 2018-11-19T08:15:14.833171
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C15H12ClNO2

SMILES: OC1=CN(Cc2ccc(Cl)cc2)Oc2ccccc21

BIRTHDAY: 2018-11-19T08:15:14.840056
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C14H22FNO2SSi

SMILES: C[C@@]1([Si](C)(C)C)CC[C@@H](c2cccc(F)c2)NS1(=O)=O

BIRTHDAY: 2018-11-19T08:15:14.847746
ATC: R05D
- RESPIRATORY SYSTEM
- COUGH AND COLD PREPARATIONS
- COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
Synthesis Plan
FORMULA:C23H22F3N3O2

SMILES: O=C(Nc1ccc(CCNC[C@@H](O)c2cccnc2)cc1)c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-11-19T08:15:14.857284
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C29H34N4O2

SMILES: O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)[C@]1(c2ccccc2)CN2CCC1CC2

BIRTHDAY: 2018-11-19T08:15:14.867207
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C23H26F3NO3

SMILES: CC(C)C[C@@H](Cc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:15:14.884701
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C18H31N3O3

SMILES: CC(C)C[C@@H](C)C(C)(C)NC[C@H]1C=NCC2(N=C1)OCC(=O)CO2

BIRTHDAY: 2018-11-19T08:15:14.892569
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C19H30N2O4

SMILES: CC(C)C[C@@H](C)C(C)(C)NC[C@H](O)c1cc(O)cc2c1NCC(=O)O2

BIRTHDAY: 2018-11-19T08:15:14.900569
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C28H46O3

SMILES: C=C(C(=O)O)[C@@H](O)[C@@H](C)C(C)(C)c1c(C(C)(C)C)cccc1C(C)(C)[C@@H](C)CC(C)C

BIRTHDAY: 2018-11-19T08:15:14.910500
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C28H46O3

SMILES: C=C(C(=O)O)[C@H](O)[C@H](C)C(C)(C)c1c(C(C)(C)C)cccc1C(C)(C)[C@H](C)CC(C)C

BIRTHDAY: 2018-11-19T08:15:14.919795
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C17H28N3O3P

SMILES: CC(C)CC(=O)Nc1ccc(CCNC[C@]2(O)CCNPO2)cc1

BIRTHDAY: 2018-11-19T08:15:14.927800
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C23H25ClN2O5S

SMILES: C[C@@H](NC[C@@H](O)COc1ccccc1O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1

BIRTHDAY: 2018-11-19T08:15:14.938357
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H23FN4O4

SMILES: O=C(O)C(=O)Nc1ccc(CCNC[C@@H](O)c2ccc3c(c2)NNCC=C3F)cc1

BIRTHDAY: 2018-11-19T08:15:14.948102
ATC: M09A
- MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
- OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
Synthesis Plan
FORMULA:C28H46O3

SMILES: C=C(C(=O)O)[C@H](O)[C@H](C)C(C)(C)c1cccc(C(C)(C)[C@H](C)CC(C)C)c1C(C)(C)C

BIRTHDAY: 2018-11-19T08:15:14.964441
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H28F3NO2

SMILES: CC(C)C[C@@H](O)[C@@H](O)CNCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

BIRTHDAY: 2018-11-19T08:15:14.981976
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C14H15F6N3O3

SMILES: C[C@@H](Nc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)N1C=NOC[C@H]1O

BIRTHDAY: 2018-11-19T08:15:14.993259
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C20H21N3O7

SMILES: C[C@H](NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2)c1ccc(NC(=O)C(=O)O)cc1

BIRTHDAY: 2018-11-19T08:15:15.012377
ATC: B02B
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- VITAMIN K AND OTHER HEMOSTATICS
Synthesis Plan
FORMULA:C29H35NO3

SMILES: CC(C)C[C@H](O)Cc1ccc2c(c1)CCOc1cccc(c1)CCNCc1ccc(cc1)O2

BIRTHDAY: 2018-11-19T08:15:15.021389
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C24H32N4O2S

SMILES: C[C@@]1(NS(C)(=O)=O)CCCCCCCCc2ccc([nH]2)C2=NC(=Cc3ccc1[nH]3)C=C2

BIRTHDAY: 2018-11-19T08:15:15.052601
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C28H27N3O2

SMILES: O=C(Nc1ccc(CCNC[C@@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1

BIRTHDAY: 2018-11-19T08:15:15.070016
ATC: N06B
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
Synthesis Plan
FORMULA:C41H45N5O5

SMILES: COc1ccccc1CC(C)(C)NC[C@@H](O)COc1ccccc1-c1cnc2nc1-c1ccnc(c1)OCCC=CCOCc1cccc(c1)N2

BIRTHDAY: 2018-11-19T08:15:15.084489
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C20H20F3N3O3

SMILES: N#Cc1cccc(OC[C@H](O)CNCCc2ccc(NC(=O)C(F)(F)F)cc2)c1

BIRTHDAY: 2018-11-19T08:15:15.093988
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C22H21F3N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](O)c1ccccn1

BIRTHDAY: 2018-11-19T08:15:15.104444
ATC: V08C
- VARIOUS
- CONTRAST MEDIA
- MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis Plan
FORMULA:C17H23N3O2S

SMILES: CC(C)CC(=O)Nc1ccc(CCNCC2=NSOC=C2)cc1

BIRTHDAY: 2018-11-19T08:15:15.112040
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H26N4O2

SMILES: NC(N)(Cc1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1)[C@H](O)c1ccncc1

BIRTHDAY: 2018-11-19T08:15:15.157819
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H36N2O3

SMILES: CC(C)C[C@@H](O)C(N)(N)C(C)(C)C(C)(C)C[C@@H](O)c1ccccc1O

BIRTHDAY: 2018-11-19T08:15:15.165383
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C19H30N2O4

SMILES: CC(C)C[C@@H](C)C(C)(C)NC[C@H](O)c1ccc(O)c2c1NCC(=O)O2

BIRTHDAY: 2018-11-19T08:15:15.173367
ATC: D08A
- DERMATOLOGICALS
- ANTISEPTICS AND DISINFECTANTS
- ANTISEPTICS AND DISINFECTANTS
Synthesis Plan
FORMULA:C26H36N2O5

SMILES: CC(C)CC(=O)Nc1ccc(CCNC[C@@H](O)CO[C@H]2OCCOCc3ccccc32)cc1

BIRTHDAY: 2018-11-19T08:15:15.182760
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C13H26N2O5

SMILES: C[C@@H](C[C@H](O)C(N)(N)C(C)(C)C(C)(C)C(=O)O)C(=O)O

BIRTHDAY: 2018-11-19T08:15:15.190398
ATC: S01X
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- OTHER OPHTHALMOLOGICALS
Synthesis Plan
FORMULA:C17H26N2O4

SMILES: CC(C)CC(C)(C)NC[C@H](O)c1cc2c(cc1O)NCC(=O)O2

BIRTHDAY: 2018-11-19T08:15:15.198484
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C19H30N2O4

SMILES: CC(C)C[C@@H](C)C(C)(C)NC[C@H](O)c1c(O)ccc2c1NCC(=O)O2

BIRTHDAY: 2018-11-19T08:15:15.206465
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1ccccc1[C@@H](C)NC[C@H](O)COc1ccccc1O

BIRTHDAY: 2018-11-19T08:15:15.214984
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C40H37N9O3

SMILES: NC(N)(Cc1ccccc1NC(=O)c1ccc([C@H]2Cn3cc4cccc(c4n3)-c3cnc4cccc(c4n3)OCCN2)cc1)[C@@H](O)c1ccncc1

BIRTHDAY: 2018-11-30T17:23:30.312961
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C25H25ClN4O2

SMILES: O=c1cc(C2(O)CCN(Cc3cc4ccccc4[nH]3)CC2)ncn1Cc1ccc(Cl)cc1

BIRTHDAY: 2018-11-30T17:23:30.331194
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C28H28N4O2

SMILES: NC(N)(Cc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1)[C@@H](O)c1ccncc1

BIRTHDAY: 2018-11-30T17:23:30.361617
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C28H28N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1)[C@H](O)c1ccncc1

BIRTHDAY: 2018-11-30T17:23:30.371777
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C17H19N3O6

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@@H](O)c1cccc(O)c1O

BIRTHDAY: 2018-11-30T17:23:30.397876
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C23H34ClNO5

SMILES: O=C(O)CCCCCCCCCC1=COC[C@H](CNC[C@@H](O)c2ccc(Cl)cc2)O1

BIRTHDAY: 2018-11-30T17:23:30.426222
ATC: N06D
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTI-DEMENTIA DRUGS
Synthesis Plan
FORMULA:C18H21N3O

SMILES: CC1=CCc2cccc(c2)CN(C)CCc2cn(cn2)C1=O

BIRTHDAY: 2018-11-30T17:23:30.434000
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C20H21N5O4

SMILES: O=C1COc2c([C@H](O)CNCCc3ccc(-n4cncn4)cc3)ccc(O)c2N1

BIRTHDAY: 2018-11-30T17:23:30.453330
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C15H17N5O4

SMILES: NC(N)(Cc1ccnnc1)[C@@H](O)c1cc(O)c2c(c1)NCC(=O)O2

BIRTHDAY: 2018-11-30T17:23:30.462777
ATC: B05C
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- IRRIGATING SOLUTIONS
Synthesis Plan
FORMULA:C19H32N2O3

SMILES: C[C@H](C[C@H](O)C(N)(N)C(C)(C)[C@H](C)CCC(=O)O)c1ccccc1

BIRTHDAY: 2018-12-02T16:06:38.362905
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C16H27NO4

SMILES: CC(C)C[C@H]1O[C@H]2C[C@@H](NC(=O)CC(C)(C)C)[C@H]1C(=O)O2

BIRTHDAY: 2018-12-02T16:06:38.388315
ATC: C09A
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:C24H29N7O2

SMILES: CC(=O)NCc1ccccc1Nc1nc(N)nc(Cc2ccccc2NC(=O)CC(C)C)n1

BIRTHDAY: 2018-12-02T16:06:38.407054
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C22H24FN3O5S

SMILES: NC(N)(Cc1ccccc1NS(=O)(=O)c1cccc(F)c1)[C@@H](O)COc1ccccc1O

BIRTHDAY: 2018-12-02T16:06:38.426420
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C31H37N5O2

SMILES: NC(N)(Cc1ccccc1NC(=O)C1(c2ccccc2)[C@H]2CC3CNC(C2)C[C@@H]1C3)[C@H](O)c1ccncc1

BIRTHDAY: 2018-12-02T16:06:38.437804
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C22H36N2O

SMILES: CC(C)C[C@@H](C)[C@@H]1CCCN(CCCc2ccc(C(N)=O)cc2)CC1

BIRTHDAY: 2018-12-02T16:06:38.445085
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C35H52O5

SMILES: CC(C)C[C@@H](C)C(C)(C)c1ccc(C(C)(C)CC[C@@H](O)[C@@H]2OCCc3c(cccc3C(=O)O)O2)c(C(C)(C)C)c1

BIRTHDAY: 2018-12-02T16:06:38.456775
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C23H25ClN2O5S

SMILES: C[C@H](NC[C@H](O)COc1ccccc1O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1

BIRTHDAY: 2018-12-02T16:06:38.496057
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C22H32N2O5S

SMILES: CCC(C)(C)Oc1ccccc1[C@@H](C)NC[C@@H](O)c1c(O)cccc1NS(C)(=O)=O

BIRTHDAY: 2018-12-03T10:43:00.221529
ATC: C01B
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- ANTIARRHYTHMICS, CLASS I AND III
Synthesis Plan
FORMULA:C17H19N3O6

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@H](O)c1c(O)cccc1O

BIRTHDAY: 2018-12-03T10:43:00.231730
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C32H52N2O

SMILES: CC(C)C[C@H](C)C(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)CCCNC[C@H](O)c2cccnc2)c1

BIRTHDAY: 2018-12-03T10:43:00.240307
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C44H72N4O2S2

SMILES: CC1=NCC=N[C@@H]2CSSCCC(C)=C(C)[C@@H](C1)OCCN=CCN=C2[C@H](O)CCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)[C@@H](C)CC(C)C)c1

BIRTHDAY: 2018-12-03T10:43:00.253734
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis Plan
FORMULA:C31H35N5O3

SMILES: O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)[C@H](c1ccccc1)[C@H]1C(=O)[C@H]2N[C@@H]1[C@@H]1CC[C@H]2N1

BIRTHDAY: 2018-12-03T10:43:00.284235
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C22H30N2O4

SMILES: CC(C)CC(=O)Nc1ccccc1CCNC[C@H](O)COc1ccc(O)cc1

BIRTHDAY: 2018-12-03T10:43:00.303574
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C28H33N5O4

SMILES: CC(C)CC(=O)Nc1cccc2c1NCCC(=O)COc1cncc(n1)[C@H]2c1ccccc1[C@@H](O)CN

BIRTHDAY: 2018-12-03T10:43:00.315924
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H24N2O5S

SMILES: C[C@@H](NC[C@H](O)COc1ccccc1O)c1ccccc1NS(C)(=O)=O

BIRTHDAY: 2018-12-03T10:43:00.343338
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C20H33NO3

SMILES: C[C@@H](C[C@H](O)CNCCCCCCCCC(=O)O)c1ccccc1

BIRTHDAY: 2018-12-03T10:43:00.350427
ATC: D05B
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C26H31NO6

SMILES: CC(C)C[C@H](C)C1=C[C@@H]2[C@H](CC(=O)O)[C@H]3C(=O)C[C@@H]2N2C(=O)[C@H]1O[C@@]32Cc1ccc(O)cc1

BIRTHDAY: 2018-12-03T19:11:25.173711
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C34H33N5O2

SMILES: CC(C)CC(=O)Nc1ccc(-c2c3ccc4ccn(c24)CC=CCOCc2cccc(c2)Nc2nccc-3n2)cc1

BIRTHDAY: 2018-12-03T19:11:25.185356
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C27H26N4O2

SMILES: NC(N)(Cc1ccccc1NC(=O)c1cccc(-c2ccccc2)c1)[C@@H](O)c1ccncc1

BIRTHDAY: 2018-12-03T19:11:25.196193
ATC: A11H
- ALIMENTARY TRACT AND METABOLISM
- VITAMINS
- OTHER PLAIN VITAMIN PREPARATIONS
Synthesis Plan
FORMULA:C21H26N2O5

SMILES: COc1ccccc1CC(C)(C)NC[C@@H](O)c1c(O)ccc2c1NCC(=O)O2

BIRTHDAY: 2018-12-03T19:11:25.205326
ATC: R03A
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- ADRENERGICS, INHALANTS
Synthesis Plan
FORMULA:C24H25N3O5S

SMILES: C[C@@H](NC[C@@H](O)COc1ccccc1O)c1ccccc1NS(=O)(=O)c1cccc(C#N)c1

BIRTHDAY: 2018-12-03T19:11:25.266749
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C25H34N2O5

SMILES: COc1ccc(CC(C)(C)NC[C@H](O)c2cc3c(cc2O)OC[C@H]2COCCCN32)cc1

BIRTHDAY: 2018-12-03T19:11:25.276567
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C17H26N2O4

SMILES: CC(C)CC(C)(C)NC[C@@H](O)c1cc2c(cc1O)NCC(=O)O2

BIRTHDAY: 2018-12-03T19:11:25.284761
ATC: N07B
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- DRUGS USED IN ADDICTIVE DISORDERS
Synthesis Plan
FORMULA:C28H27N3O2

SMILES: O=C(Nc1ccc(CCNC[C@H](O)c2ccncc2)cc1)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-12-03T19:11:25.303792
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C21H26N2O5

SMILES: COc1ccccc1CC(C)(C)NC[C@@H](O)c1cc2c(cc1O)OC(=O)CN2

BIRTHDAY: 2018-12-03T19:11:25.321800
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C25H32F3N3O4

SMILES: CC(C)C[C@@H](CNCCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2

BIRTHDAY: 2018-12-03T19:11:25.341448
ATC: A10A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- INSULINS AND ANALOGUES
Synthesis Plan
FORMULA:C18H24N4O2

SMILES: CC(C)(O)[C@@H]1Cc2cn(nn2)CC=CCOc2cccc(c2)CN1

BIRTHDAY: 2018-12-01T22:30:30.294746
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C28H33N3O3

SMILES: C[C@@H](O)CNCCc1ccc(NC(=O)c2ccc([C@@]3(c4ccccc4)COCCN3)cc2)cc1

BIRTHDAY: 2018-12-01T22:30:30.373743
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H27N3O3S

SMILES: O=S(=O)(NCCCCNC[C@H](O)c1cccnc1)c1ccc(-c2ccccc2)cc1

BIRTHDAY: 2018-12-01T22:30:30.392240
ATC: C04A
- CARDIOVASCULAR SYSTEM
- PERIPHERAL VASODILATORS
- PERIPHERAL VASODILATORS
Synthesis Plan
FORMULA:C23H28N4O4

SMILES: O=C(Nc1ccc(CCNC[C@@H](O)CO)cc1)C1=NC(=O)N(Cc2ccccc2)CC1

BIRTHDAY: 2018-12-01T22:30:30.401851
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C19H20N4O7

SMILES: NC(N)(Cc1ccccc1NC(=O)C(=O)O)[C@@H](O)c1c(O)ccc2c1NCC(=O)O2

BIRTHDAY: 2018-12-01T22:30:30.421067
ATC: B06A
- BLOOD AND BLOOD FORMING ORGANS
- OTHER HEMATOLOGICAL AGENTS
- OTHER HEMATOLOGICAL AGENTS
Synthesis Plan
FORMULA:C20H32N2O6

SMILES: CC(C)CC(=O)NCCCCNC[C@H](O)COc1ccc(OCC(=O)O)cc1

BIRTHDAY: 2018-12-01T22:30:30.429863
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C29H27F3N2O2

SMILES: O=C(Nc1ccc(CCNC[C@@H](O)C2=Cc3ccccc3C=CC2)cc1)c1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-01T22:30:30.440093
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan