matter.farm

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

These compounds may interact with:

Trypsin-1

Potentially involved in: carcinoma; pancreatitis; pancreatic cancer; cystic fibrosis; pancreatic steatorrhea; duodenal obstruction; steatorrhea; abdominal pain; diabetes mellitus; fever; hypoproteinemia; pancreatic insufficiency; pancreatic pseudocyst; pleural effusion disorder; pancreatitis, chronic; failure to gain weight; hereditary pancreatitis; exocrine pancreatic insufficiency; pancreatic calcification; pediatric failure to thrive

Disease data sourced from Pharos.

Inhibitor

FORMULA:C19H25N5O7

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

BIRTHDAY: 2018-12-01T14:10:39.358918
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C13H25N5O4

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

BIRTHDAY: 2018-12-01T14:10:39.367093
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H20N6O2

SMILES: N=C(N)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:39.376193
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H24ClN3O4S

SMILES: Cc1cc(NC(=O)[C@@H](NC(=O)c2cscc2Cl)C(C)C)cc(N2CCOC(=O)C2)c1

BIRTHDAY: 2018-12-01T14:10:39.385808
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C20H23N3O3

SMILES: C[C@H](Cc1cccc(C(=N)N)c1)C(=O)N[C@H](CC(=O)O)c1ccccc1

BIRTHDAY: 2018-12-01T14:10:39.394404
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H21N7O3

SMILES: N=C(N)c1ccc(NC(=O)c2cc(NC(=O)c3ccc(C(=N)N)cc3)cc(C(N)=O)c2)cc1

BIRTHDAY: 2018-12-01T14:10:39.404740
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C22H20N6O2

SMILES: N=C(N)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=N)N

BIRTHDAY: 2018-12-01T14:10:39.414159
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H24ClN3O4S

SMILES: Cc1cccc(N2CCOC(=O)C2)c1NC(=O)[C@H](NC(=O)c1cscc1Cl)C(C)C

BIRTHDAY: 2018-12-01T14:10:39.424497
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C17H14F2N5OP

SMILES: N=C(N)c1ccc(NC(=O)C2=NC=CPN2c2c(F)cccc2F)cc1

BIRTHDAY: 2018-12-01T14:10:39.434371
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C23H20ClN5O4

SMILES: N=C(N)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NCC(=O)O)cc3Cl)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:39.444437
ATC: A07A
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ANTIINFECTIVES
Synthesis Plan
FORMULA:C13H25N5O4

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

BIRTHDAY: 2018-12-01T14:10:39.471639
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H26ClN5O4S

SMILES: N=C(N)c1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)cc1

BIRTHDAY: 2018-12-01T14:10:39.482468
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C21H24ClN3O4S

SMILES: Cc1cc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)s2)C(C)C)ccc1N1CCOCC1=O

BIRTHDAY: 2018-12-01T14:10:39.491979
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H23N5O4S

SMILES: N=C(N)c1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3-c3ccc(S(N)(=O)=O)cc3)cc2)c1

BIRTHDAY: 2018-12-01T14:10:39.503495
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H22N6O3

SMILES: Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)ccc1NC(=O)c1ccc(C(=N)NO)cc1

BIRTHDAY: 2018-12-01T14:10:39.513075
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C39H47N5O3S

SMILES: CC1(C)SCNCc2cccc(NC(=O)c3cccc([C@@H]4CC=CCCCCCCC=CCO4)c3NC(=O)c3ccccc3C(=N)N)c21

BIRTHDAY: 2018-12-01T14:10:39.528408
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C15H22N4O5

SMILES: CC(C)[C@@H](Nc1cnoc1)C(=O)N1CC[C@H](C(=O)NCC(=O)O)C1

BIRTHDAY: 2018-12-01T14:10:39.537218
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H20N6O2

SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=N)N)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:41.923774
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C21H24ClN3O4S

SMILES: Cc1cccc(N2CCOC(=O)C2)c1NC(=O)[C@@H](NC(=O)c1cscc1Cl)C(C)C

BIRTHDAY: 2018-12-25T02:02:41.934529
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C29H39N5O2

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C(=N)N)cc1)[C@@H]1CCCCCC=c2cc3c([nH]2)=C[C@@H](C3)C1

BIRTHDAY: 2018-12-25T02:02:41.954819
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C19H29N7O3

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C(=N)N)cc1)C(=O)NCCCC(=N)N

BIRTHDAY: 2018-12-25T02:02:41.964649
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:C23H32N4O2

SMILES: CC(C)(C)[C@@H](NC(=O)CNC(=O)c1ccccc1C(=N)N)[C@@H]1C[C@@H]2C=C[C@@H]1CC2

BIRTHDAY: 2018-12-25T02:02:41.983048
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C28H24N6O2

SMILES: N=C(N)c1ccc(-c2ccccc2NC(=O)c2ccccc2NC(=O)c2ccccc2C(=N)N)cc1

BIRTHDAY: 2018-12-25T02:02:41.994328
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C14H27N5O4

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

BIRTHDAY: 2018-12-25T02:02:42.013099
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H29N7O3

SMILES: CC(C)[C@H](NC(=O)CNC(=O)c1ccccc1C(=N)N)C(=O)NC(C)(C)C(=N)N

BIRTHDAY: 2018-12-25T02:02:42.023268
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H27N5O2

SMILES: N=C(N)c1ccccc1CNC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1

BIRTHDAY: 2018-12-25T02:02:42.032885
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C27H25N5O3

SMILES: N=C(N)c1ccccc1[C@@H]1C=CCOCc2cccc(c2)Nc2nccc(n2)-c2coc(c2)CO1

BIRTHDAY: 2018-12-25T02:02:42.044096
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C28H31N5O

SMILES: N=C(N)c1ccc([C@@]2(N)C[C@@H]3N[C@H](CC[C@@H]3NC(=O)c3ccc(-c4ccccc4)cc3)C2)cc1

BIRTHDAY: 2018-12-25T02:02:42.083453
ATC: J01G
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- AMINOGLYCOSIDE ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H16ClF3N4O2

SMILES: N=C(N)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T02:38:45.817561
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H24ClN3O4S

SMILES: Cc1cccc(NC(=O)[C@@H](NC(=O)c2csc(Cl)c2)C(C)C)c1N1CCOCC1=O

BIRTHDAY: 2018-12-03T02:38:45.827749
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H27N5O2

SMILES: N=C(N)c1ccccc1CNC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1

BIRTHDAY: 2018-12-03T02:38:45.857752
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C27H23N5O4S

SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3-c3ccc(S(N)(=O)=O)cc3)cc2)cc1

BIRTHDAY: 2018-12-03T02:38:45.869439
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C15H15N3O2

SMILES: N=C(N)c1cccc2c1N[C@H](c1c(O)cccc1O)C2

BIRTHDAY: 2018-12-03T02:38:45.898455
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C22H27N5O3

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1cccc(-c2ccccc2)c1)C(=O)NCC(=N)N

BIRTHDAY: 2018-12-03T02:38:45.907832
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C27H27N7O4

SMILES: N=C(N)c1ccc(C(=O)Nc2cc(C(=O)Nc3cccc(C(=N)N)c3)cc(C(=O)N3CCOCC3)c2)cc1

BIRTHDAY: 2018-12-03T02:38:45.919628
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C23H27IN6O4P

SMILES: C[C@]1(N[C@@H](C#N)C(=O)N2C[C@@H]3C=CC=C[C@]3(C(=O)NCc3ccccc3C(=N)N)C2)COPOI1

BIRTHDAY: 2018-12-03T02:38:45.931622
ATC: V08A
- VARIOUS
- CONTRAST MEDIA
- X-RAY CONTRAST MEDIA, IODINATED
Synthesis Plan
FORMULA:C23H28N4O5

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

BIRTHDAY: 2018-12-03T02:38:45.952398
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:C26H26N4O6S

SMILES: N=C(N)c1ccccc1[C@]1(C(=O)Nc2ccccc2-c2ccc(S(N)(=O)=O)cc2)COC=COCCO1

BIRTHDAY: 2018-12-03T02:38:45.965695
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C27H33BN8O4S

SMILES: N=C(N)c1cccc(NC(=O)c2cc3cc(c2)-c2cc(ncn2)SCCNCOCCN([C@@H]2CC(=[NH2+])O[BH2-]O2)C3)c1

BIRTHDAY: 2018-12-03T02:38:45.988968
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C27H23N5O4S

SMILES: N=C(N)c1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1

BIRTHDAY: 2018-12-03T02:38:46.000256
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C27H27N7O4

SMILES: N=C(N)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2C(=N)N)c1C(=O)N1CCOCC1

BIRTHDAY: 2018-11-30T03:40:42.062908
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H24N4O3S

SMILES: N=C(N)c1cccc([C@H]2CCN(C(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1

BIRTHDAY: 2018-11-30T03:40:42.073322
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C20H29N5O5

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1C(=N)N)C(=O)NC(C)(C)CC(=O)O

BIRTHDAY: 2018-11-30T03:40:42.083414
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C19H23N3O7

SMILES: C[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)CCC(=O)O

BIRTHDAY: 2018-11-30T03:40:42.093908
ATC: A03B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- BELLADONNA AND DERIVATIVES, PLAIN
Synthesis Plan
FORMULA:C22H25N5O4

SMILES: C[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)c1ccc(C(=N)N)cc1

BIRTHDAY: 2018-11-30T03:40:42.104603
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C25H31N5O4

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(C(=N)NO)c1

BIRTHDAY: 2018-11-30T03:40:42.115069
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C29H34ClN3O2S

SMILES: CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1cccc2c1CCCc1cccc(c1)CCNCC2

BIRTHDAY: 2018-11-30T03:40:42.125538
ATC: J01A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- TETRACYCLINES
Synthesis Plan
FORMULA:C22H27N5O3

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC(=N)N

BIRTHDAY: 2018-11-30T03:40:42.145551
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C23H22N6O3

SMILES: Cc1c(NC(=O)c2ccccc2C(=N)NO)cccc1C(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-11-30T03:40:42.155696
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H30N8O3

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1C(=N)N)C(=O)NC(C)(C)NC(=N)N

BIRTHDAY: 2018-11-30T03:40:42.166049
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C33H35FN2O3

SMILES: O=C(Oc1ccccc1C(=O)Nc1ccccc1[C@@H]1C=CCCCCCCCCC=C(F)C1)c1cccnc1

BIRTHDAY: 2018-11-30T03:40:42.176889
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C18H21N3OS

SMILES: CC1(C)CC[S@@+]([O-])c2cccc(-c3ccc(C(=N)N)cc3)c2N1

BIRTHDAY: 2018-11-30T03:40:42.195198
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C28H33N3O3

SMILES: COc1ccc(CNC(=O)[C@@H](CC(C)C)c2ccc(-c3ccc(C(=N)N)cc3)cc2)cc1OC

BIRTHDAY: 2018-11-30T03:40:42.204997
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:C19H29N7O3

SMILES: CC(C)[C@H](NC(=O)CNC(=O)c1ccc(C(=N)N)cc1)C(=O)NCCCC(=N)N

BIRTHDAY: 2018-11-30T03:40:42.224473
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:C22H26FN5O4S

SMILES: N=C(N)c1ccccc1[C@H]1CCN(C(=O)c2cccc(F)c2NS(=O)(=O)N2CCOCC2)C1

BIRTHDAY: 2018-11-19T08:13:17.837345
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C17H23F2NS5

SMILES: C[C@H]1SSSSS[C@@]1(N1CC[C@@H](c2c(F)cccc2F)C1)C(C)(C)C

BIRTHDAY: 2018-11-19T08:13:17.847388
ATC: J04A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis Plan
FORMULA:C26H34N6O4

SMILES: C[C@H](Cc1ccccc1C(=N)N)C(=O)N[C@@H](C[C@]1(O)N[C@H]2CN[C@@H]1[C@](N)(c1ccccc1)C2)C(=O)O

BIRTHDAY: 2018-11-19T08:13:17.859810
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C20H30N6O4

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1C(=N)N)C(=O)NC(C)(C)CC(N)=O

BIRTHDAY: 2018-11-19T08:13:17.878949
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H27N5O3

SMILES: CC(C)[C@H](NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NCC(=N)N

BIRTHDAY: 2018-11-19T08:13:17.888351
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H24FN5O2

SMILES: Cc1ccc(N2C(c3ccc(F)cc3)=NO[C@@H]2C(=O)NCc2cccc(C(=N)N)c2)cc1C

BIRTHDAY: 2018-11-19T08:13:17.898715
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C22H27N5O2

SMILES: N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@H](N)Cc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:13:17.908817
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C23H20ClN5O4

SMILES: N=C(N)c1ccccc1NC(=O)c1ccccc1NC(=O)c1cc(Cl)cc(NCC(=O)O)c1

BIRTHDAY: 2018-11-19T08:13:17.919600
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H23N3O3

SMILES: C[C@H](Cc1cccc(C(=N)N)c1)C(=O)N[C@@H](CC(=O)O)c1ccccc1

BIRTHDAY: 2018-11-19T08:13:17.928597
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C18H26N6O4

SMILES: C[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)C(=O)O)c1ccc(C(=N)N)cc1

BIRTHDAY: 2018-11-19T08:13:17.938350
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C22H27N5O2

SMILES: N=C(N)c1ccccc1CNC(=O)[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1

BIRTHDAY: 2018-11-19T08:13:17.947870
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C16H26N2

SMILES: CC(C)N[C@@H]1C[C@@H]2CN3[C@H]4C[C@H]5C[C@@H]3[C@@](C5)(C1)[C@H]24

BIRTHDAY: 2018-11-19T08:13:17.954748
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H24ClN3O4S

SMILES: Cc1cccc(N2CCOC(=O)C2)c1NC(=O)[C@@H](NC(=O)c1ccsc1Cl)C(C)C

BIRTHDAY: 2018-11-19T08:13:17.965492
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C20H19Cl2N5O2

SMILES: O=C(Cn1c(Cl)cnc(NCCc2ccccn2)c1=O)NCc1ccccc1Cl

BIRTHDAY: 2018-11-19T08:13:17.975195
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C20H23N3O3

SMILES: C[C@@H](Cc1ccccc1C(=N)N)C(=O)N[C@@H](CC(=O)O)c1ccccc1

BIRTHDAY: 2018-11-19T08:13:17.984069
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C34H37N5O2

SMILES: Cc1cc(N)ccc1C(=O)N1Cc2cccc(c2)CNCCOc2cccc(c2)-c2cc(C(=N)NC(C)C)ccc21

BIRTHDAY: 2018-11-19T08:13:17.995671
ATC: B03X
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- OTHER ANTIANEMIC PREPARATIONS
Synthesis Plan
FORMULA:C29H49N7O4

SMILES: CC(C)[C@@H](N[C@H]1C[C@@H]([C@@H]2NC[C@H]3CNCN2C3=O)CNCCN([C@H](CO)C(C)(C)C)c2cccc(c2)N1)C(=O)O

BIRTHDAY: 2018-11-19T08:13:18.008514
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C22H19N3O4

SMILES: COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(N)=O)c2)cc1

BIRTHDAY: 2018-11-19T08:13:18.018216
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H20ClN5O4

SMILES: N=C(N)c1ccccc1NC(=O)c1ccccc1NC(=O)c1c(Cl)cccc1NCC(=O)O

BIRTHDAY: 2018-11-19T08:13:18.029020
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C21H24N4O3

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

BIRTHDAY: 2018-11-19T08:13:18.037936
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C13H25N5O4

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

BIRTHDAY: 2018-11-19T08:13:18.056393
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C25H31N5O3

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=N)N)cc1

BIRTHDAY: 2018-11-19T08:13:18.091211
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C13H23N7O4

SMILES: CC(C)CC(=O)N[C@@H](C(=O)Nc1n[nH]c(=O)o1)C(C)(C)NC(=N)N

BIRTHDAY: 2018-11-19T08:13:18.110840
ATC: S01F
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- MYDRIATICS AND CYCLOPLEGICS
Synthesis Plan
FORMULA:C29H36N6O2

SMILES: CC(C)[C@H](C)NC(=O)CNc1ccc2cc1CNCC=CCOCc1cccc(c1)-c1ccnc(n1)N2

BIRTHDAY: 2018-11-19T08:13:18.132456
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H29N5O5

SMILES: CC(C)[C@H](NC(=O)CNC(=O)c1ccccc1C(=N)N)C(=O)NC(C)(C)CC(=O)O

BIRTHDAY: 2018-11-19T08:13:18.152412
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C14H17N7O2S

SMILES: Cc1nc(-c2cccs2)oc1CCN1ON=C(N)[C@H]1C(=N)C(=N)N

BIRTHDAY: 2018-11-19T08:13:18.181036
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C19H30N8O3

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C(=N)N)cc1)C(=O)NCCCNC(=N)N

BIRTHDAY: 2018-11-19T08:13:18.191334
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C19H25N5O7

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

BIRTHDAY: 2018-11-19T08:13:18.212174
ATC: M01C
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:C28H30N6O3

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(C(=N)N)cc1)[C@H]1C=CCc2c(-c3ccccc3)n[nH]c2C1=O

BIRTHDAY: 2018-11-19T08:13:18.223215
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C24H29N3O3

SMILES: Cc1ccc2cc1CC(=O)N1CC[C@@](C)(C1)N[C@H](C)CNC(=O)c1cccc(c1)O2

BIRTHDAY: 2018-11-19T08:13:18.232987
ATC: A06A
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR CONSTIPATION
- DRUGS FOR CONSTIPATION
Synthesis Plan
FORMULA:C23H39N3O3

SMILES: CC(C)CC(=O)N[C@H](C(C)C)[C@H](C)[C@]1(N)CCOc2cncc(c2)CCCCO1

BIRTHDAY: 2018-11-19T08:13:18.242120
ATC: H01B
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
- POSTERIOR PITUITARY LOBE HORMONES
Synthesis Plan
FORMULA:C29H33N7O2

SMILES: N=C(N)c1ccc(NC(=N)c2ccc([C@H]3CCCN3C(=O)c3ccc(N4CCOCC4)cc3N)cc2)cc1

BIRTHDAY: 2018-11-19T08:13:18.265252
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C23H28N4O5

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

BIRTHDAY: 2018-11-19T08:13:18.275412
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C21H31N5O5

SMILES: CC(C)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)CNC(=O)c1ccc(C(=N)N)cc1)C(C)C

BIRTHDAY: 2018-11-19T08:13:18.285571
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H28N8O2

SMILES: CONC(=N)c1ccc2c(c1)CNNN2Cc1ccccc1C(=O)N1CCNC[C@H]1N

BIRTHDAY: 2018-11-19T08:13:18.295983
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C19H29N7O3

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1ccccc1C(=N)N)C(=O)NC(C)(C)C(=N)N

BIRTHDAY: 2018-11-19T08:13:18.316779
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C22H26FN5O4S

SMILES: N=C(N)c1ccc([C@H]2CCCN2C(=O)c2ccc(NS(=O)(=O)N3CCOCC3)c(F)c2)cc1

BIRTHDAY: 2018-11-19T08:13:18.327932
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C19H25N5O7

SMILES: C[C@H](Cc1ccc(C(=N)N)cc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(N)=O

BIRTHDAY: 2018-11-19T08:13:18.339141
ATC: A08A
- ALIMENTARY TRACT AND METABOLISM
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
- ANTIOBESITY PREPARATIONS, EXCL. DIET PRODUCTS
Synthesis Plan
FORMULA:C23H21N7O3

SMILES: N=C(N)c1cccc(NC(=O)c2cccc(C(N)=O)c2NC(=O)c2ccccc2C(=N)N)c1

BIRTHDAY: 2018-11-19T08:13:18.351855
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C24H24N4O3S

SMILES: N=C(N)c1cccc([C@@H]2CCN(C(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1

BIRTHDAY: 2018-11-19T08:13:18.362222
ATC: M03B
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, CENTRALLY ACTING AGENTS
Synthesis Plan
FORMULA:C22H27N5O2

SMILES: N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccccc2)cc1

BIRTHDAY: 2018-11-19T08:13:18.381617
ATC: R07A
- RESPIRATORY SYSTEM
- OTHER RESPIRATORY SYSTEM PRODUCTS
- OTHER RESPIRATORY SYSTEM PRODUCTS
Synthesis Plan
FORMULA:C19H21N3O

SMILES: N=C(N)c1ccccc1C(=O)NC12[C@H]3C[C@@H]4C5[C@@H]3C[C@H]1[C@@H]5C[C@H]42

BIRTHDAY: 2018-11-19T08:13:18.390215
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C22H26FN5O4S

SMILES: N=C(N)c1ccc([C@@H]2CCCN2C(=O)c2ccc(NS(=O)(=O)N3CCOCC3)c(F)c2)cc1

BIRTHDAY: 2018-11-19T08:13:18.401362
ATC: N02C
- NERVOUS SYSTEM
- ANALGESICS
- ANTIMIGRAINE PREPARATIONS
Synthesis Plan
FORMULA:C22H20N6O2

SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(=N)N)c3)cc2)cc1

BIRTHDAY: 2018-11-19T08:13:18.431445
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C22H27N5O

SMILES: CC(C)[C@@]1(O)CN2[C@@H]3C[C@@H]1[C@H]1C[C@@](c4ccc(-c5nncnn5)cc4)(C3)C[C@H]12

BIRTHDAY: 2018-11-30T17:23:03.843436
ATC: A12B
- ALIMENTARY TRACT AND METABOLISM
- MINERAL SUPPLEMENTS
- POTASSIUM
Synthesis Plan
FORMULA:C27H27N7O4

SMILES: N=C(N)c1ccc(NC(=O)c2cc(NC(=O)c3ccc(C(=N)N)cc3)cc(C(=O)N3CCOCC3)c2)cc1

BIRTHDAY: 2018-11-30T17:23:03.939864
ATC: C03D
- CARDIOVASCULAR SYSTEM
- DIURETICS
- POTASSIUM-SPARING AGENTS
Synthesis Plan
FORMULA:C25H31N5O3

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H](C(=O)NCc2ccccc2C(=N)N)C1

BIRTHDAY: 2018-11-30T17:23:03.968988
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C23H22N6O3

SMILES: Cc1cc(NC(=O)c2ccc(C(=N)NO)cc2)ccc1C(=O)Nc1ccc(C(=N)N)cc1

BIRTHDAY: 2018-11-30T17:23:03.988474
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C24H34N2O3

SMILES: N=C(N)[C@@]1(Cc2cccc3c2C=C(O)CC3)CCCCCCCC(=O)COCC1

BIRTHDAY: 2018-11-30T17:23:04.016140
ATC: C02C
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
Synthesis Plan
FORMULA:C23H22N6O2

SMILES: Cc1cc(NC(=O)c2ccc(C(=N)N)cc2)ccc1C(=O)Nc1ccc(C(=N)N)cc1

BIRTHDAY: 2018-12-02T16:06:12.876228
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C24H25N5O3S

SMILES: N=C(N)c1ccccc1[C@@H]1CCN(C(=O)c2ccccc2NS(=O)(=O)Nc2ccccc2)C1

BIRTHDAY: 2018-12-02T16:06:12.926412
ATC: C01E
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- OTHER CARDIAC PREPARATIONS
Synthesis Plan
FORMULA:C22H26FN5O4S

SMILES: N=C(N)c1ccccc1[C@@H]1CCN(C(=O)c2cc(F)cc(NS(=O)(=O)N3CCOCC3)c2)C1

BIRTHDAY: 2018-12-02T16:06:12.947318
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H26FN5O4S

SMILES: N=C(N)c1ccccc1[C@@H]1CCN(C(=O)c2cccc(F)c2NS(=O)(=O)N2CCOCC2)C1

BIRTHDAY: 2018-12-02T16:06:12.978071
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C17H23N5O2

SMILES: CC(C)[C@H](NC(=O)CNc1ccccn1)C(=O)N1CCC[C@@H]1C#N

BIRTHDAY: 2018-12-02T16:06:13.028140
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C14H12N6O5

SMILES: N=C(N)c1ccc2c(=O)n(CC(=O)Nc3cc(=O)[nH]o3)[nH]c(=O)c2c1

BIRTHDAY: 2018-12-02T16:06:13.056558
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C25H25N7O3

SMILES: CCNC(=O)c1c(NC(=O)c2ccccc2C(=N)N)cccc1C(=O)Nc1ccccc1C(=N)N

BIRTHDAY: 2018-12-03T10:42:33.981334
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C15H13N3O2

SMILES: N=C(N)c1ccc2[nH]c(-c3ccc(O)c(O)c3)cc2c1

BIRTHDAY: 2018-12-03T10:42:33.998504
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C22H31N7O6S

SMILES: Cc1ccccc1[C@@]1(C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](CC(=O)O)C(N)=O)C(C)C)SN=C(N)N1C

BIRTHDAY: 2018-12-03T10:42:34.012158
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C23H25N5O5

SMILES: N=C(N)c1ccc(CNC(=O)C2(C(=O)N[C@@H](CC(=O)O)C(=O)Nc3ccccc3)CC2)cc1

BIRTHDAY: 2018-12-03T10:42:34.023324
ATC: R01A
- RESPIRATORY SYSTEM
- NASAL PREPARATIONS
- DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:C29H35N3O4

SMILES: COc1cc(CNC(=O)[C@H](CC(C)C)c2ccc(-c3cccc(C(=N)N)c3)cc2)cc(OC)c1OC

BIRTHDAY: 2018-12-03T10:42:34.064196
ATC: A04A
- ALIMENTARY TRACT AND METABOLISM
- ANTIEMETICS AND ANTINAUSEANTS
- ANTIEMETICS AND ANTINAUSEANTS
Synthesis Plan
FORMULA:C19H30N8O3

SMILES: CC(C)[C@H](NC(=O)CNC(=O)c1ccc(C(=N)N)cc1)C(=O)NCCCNC(=N)N

BIRTHDAY: 2018-12-03T10:42:34.074432
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C41H38N6O3

SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)C3=NC4=Cc4ccc([nH]4)CCCCC=CCCCc4ccc3o4)cc2)cc1

BIRTHDAY: 2018-12-03T10:42:34.087956
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C25H31N5O3

SMILES: CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1

BIRTHDAY: 2018-12-03T10:42:34.098120
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C27H30N6O5

SMILES: Cc1nc2nn1CCOCCC=C(CC(=O)Nc1ccc(C(=O)Nc3ccc(C(=O)NO)cc3)cc1)CC2

BIRTHDAY: 2018-12-03T10:42:34.119655
ATC: C07A
- CARDIOVASCULAR SYSTEM
- BETA BLOCKING AGENTS
- BETA BLOCKING AGENTS
Synthesis Plan
FORMULA:C20H23N3O3

SMILES: C[C@H](Cc1ccccc1C(=N)N)C(=O)N[C@H](CC(=O)O)c1ccccc1

BIRTHDAY: 2018-12-03T10:42:34.128418
ATC: C03A
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, THIAZIDES
Synthesis Plan
FORMULA:C31H33N5O5

SMILES: N=C(N)c1ccccc1CNC(=O)[C@@H]1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)[C@H](CC(=O)O)c2ccccc2)C1

BIRTHDAY: 2018-12-03T10:42:34.152907
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C21H24N4O3

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

BIRTHDAY: 2018-12-03T19:10:59.541671
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C45H51FN8O3

SMILES: N=C(N)c1ccccc1CNC(=O)[C@@H]1CCN(C(=O)[C@H](NC(=O)c2ccccc2)[C@H](F)[C@@H]2CCCCc3ccc([nH]3)C=C3C=CC(=N3)c3ccc([nH]3)CCCC2)C1

BIRTHDAY: 2018-12-03T19:10:59.560222
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C31H25N7O3

SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(-c3nc(=O)cnn3-c3ccc(C(=O)NCc4ccccc4)cc3)cc2)cc1

BIRTHDAY: 2018-12-03T19:10:59.573063
ATC: A01A
- ALIMENTARY TRACT AND METABOLISM
- STOMATOLOGICAL PREPARATIONS
- STOMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H28N4O5

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

BIRTHDAY: 2018-12-03T19:10:59.583600
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C15H13N3O2

SMILES: N=C(N)c1ccc2[nH]c(-c3ccc(O)cc3O)cc2c1

BIRTHDAY: 2018-12-03T19:10:59.601325
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C26H26N4O5

SMILES: COc1cc(C(=N)N)ccc1C(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)cc1

BIRTHDAY: 2018-12-03T19:10:59.611752
ATC: A03F
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- PROPULSIVES
Synthesis Plan
FORMULA:C23H21N7O3

SMILES: N=C(N)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=N)N)cc3)cc2C(N)=O)cc1

BIRTHDAY: 2018-12-03T19:10:59.622321
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C19H19N5O6S

SMILES: N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)CCC(=O)O)S(=O)(=O)N3)cc1

BIRTHDAY: 2018-12-03T19:10:59.642714
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C23H28N4O5

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

BIRTHDAY: 2018-12-03T19:10:59.683738
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:C25H25N7O3

SMILES: CCNC(=O)c1cc(NC(=O)c2ccc(C(=N)N)cc2)cc(C(=O)Nc2ccc(C(=N)N)cc2)c1

BIRTHDAY: 2018-12-03T19:10:59.694843
ATC: S01E
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis Plan
FORMULA:C20H27N7O4S2

SMILES: CC(C)[C@@H]1Cn2nnc(n2)-c2csc(n2)C(=O)N[C@@H](C/C=C/CCS)CC(=O)OCC(=O)N1

BIRTHDAY: 2018-12-03T19:10:59.706723
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C25H38F3N7O6

SMILES: C[C@H]([C@@H](N)CO)[C@@]1(C(=O)N[C@@H](C(N)=O)C(C)(C)C)CCOC=C(CC(F)(F)F)NCNc2cncc(n2)OCC1=O

BIRTHDAY: 2018-12-01T22:30:04.325194
ATC: P01B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ANTIPROTOZOALS
- ANTIMALARIALS
Synthesis Plan
FORMULA:C32H39N7O4

SMILES: CC(C)[C@@H](NC(=O)CNC(=O)c1cccc(C(=N)N)c1)C(=O)N1CCCc2cn(cn2)CC=CCOc2cccc(c2)C1

BIRTHDAY: 2018-12-01T22:30:04.348981
ATC: A10B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS USED IN DIABETES
- BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
Synthesis Plan
FORMULA:C21H22N2O4

SMILES: CC(C)[C@H]1COC(=O)Nc2cccc(c2)C(=O)NC(=O)Cc2ccc1cc2

BIRTHDAY: 2018-12-01T22:30:04.366709
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H31N5O5

SMILES: N=C(N)c1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1[C@]12CN[C@]34CC[C@H](O1)[C@@H](C=COCO3)[C@@H]42

BIRTHDAY: 2018-12-01T22:30:04.399579
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C26H25N7O5S

SMILES: CN1SN(CC(=O)O)[C@@](N)(c2ccccc2NC(=O)c2ccccc2NC(=O)c2ccccc2C(=N)N)C1=O

BIRTHDAY: 2018-12-01T22:30:04.422373
ATC: J01D
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER BETA-LACTAM ANTIBACTERIALS
Synthesis Plan
FORMULA:C24H29N5O5

SMILES: CC(C)[C@H](CC(=O)Nc1ccccc1C(=N)N)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccccc1

BIRTHDAY: 2018-12-01T22:30:04.452050
ATC: A03C
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
- ANTISPASMODICS IN COMBINATION WITH PSYCHOLEPTICS
Synthesis Plan
FORMULA:C27H28N6O2

SMILES: CN1N=C(C(=O)N2CCC[C@@H]2c2ccc(C(=N)N)cc2)C[C@@H](c2ccc3ccccc3c2)NC1=O

BIRTHDAY: 2018-12-01T22:30:04.472806
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan