matter.farm

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

These compounds may interact with:

Huntingtin

Potentially involved in: intellectual disability; huntington's disease; neurodegenerative disease; endometrial cancer; kidney cancer; carcinoma; liver cancer; choreatic disease; toxic encephalopathy; dentatorubral-pallidoluysian atrophy; kennedy's disease; parkinson's disease; dementia; amyotrophic lateral sclerosis; alzheimer's disease; hereditary spastic paraplegia 38; machado-joseph disease; cadmium poisoning; chorea; mental depression

Disease data sourced from Pharos.

Unknown Action

FORMULA:C23H27NO3

SMILES: CC(C)/C(=C\c1ccccc1)c1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1

BIRTHDAY: 2018-12-01T14:10:47.102098
ATC: B03A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIANEMIC PREPARATIONS
- IRON PREPARATIONS
Synthesis Plan
FORMULA:C27H24FN3O2

SMILES: COc1ccc([C@@]2(c3ccc(F)cc3)C[C@@H]3CNC[C@H]2N3C(=O)c2ccc(C#N)cc2)cc1

BIRTHDAY: 2018-12-01T14:10:47.112766
ATC: A14A
- ALIMENTARY TRACT AND METABOLISM
- ANABOLIC AGENTS FOR SYSTEMIC USE
- ANABOLIC STEROIDS
Synthesis Plan
FORMULA:C34H28N4O4

SMILES: COc1ccc(C(=O)Nc2ccc3c(c2)Oc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)COCC=C3)cc1

BIRTHDAY: 2018-12-01T14:10:47.124540
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H21BN2O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]12OBC=C1C(=O)CO2

BIRTHDAY: 2018-12-01T14:10:47.135217
ATC: G03B
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- ANDROGENS
Synthesis Plan
FORMULA:C17H18F3NO5

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1/C(=C\C(=O)O)C(F)(F)F)C(=O)O

BIRTHDAY: 2018-12-01T14:10:47.145353
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C39H32N6O3

SMILES: COc1ccc(/C=C2/Nc3nc(nc4ccc(C)cc34)Nc3cncc(c3)/C(=C/c3ccc(C)cc3)Cc3cccc2c3)cc1[N+](=O)[O-]

BIRTHDAY: 2018-12-01T14:10:47.158999
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C21H28F3N5O5

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

BIRTHDAY: 2018-12-01T14:10:47.171162
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-12-01T14:10:47.179957
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C28H24F3N3O5

SMILES: COc1cccc([C@@]23C=C[C@@]4(F)C=CC(F)=C(F)[C@@]4(N2)[C@](N)(c2ccccc2C(=O)NCC(=O)O)CC3=O)c1

BIRTHDAY: 2018-12-01T14:10:47.192300
ATC: A09A
- ALIMENTARY TRACT AND METABOLISM
- DIGESTIVES, INCL. ENZYMES
- DIGESTIVES, INCL. ENZYMES
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-12-01T14:10:47.201686
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C17H18F3NO5

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1/C(=C\C(=O)O)C(F)(F)F)C(=O)O

BIRTHDAY: 2018-12-01T14:10:47.212689
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C17H15F6NO4

SMILES: CC(C)[C@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)C(=O)C(F)(F)F

BIRTHDAY: 2018-12-01T14:10:47.223706
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C22H22N2O3

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

BIRTHDAY: 2018-12-01T14:10:47.231807
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H19ClN3O2P

SMILES: CN(C)C(=O)[C@@H](C(=O)N1C=NC=C(c2cccc(Cl)c2)P1)c1ccccc1

BIRTHDAY: 2018-12-01T14:10:47.240917
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C19H23N3O6

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1/C(=C/[C@@H]1CON=CN1)C(=O)O)C(=O)O

BIRTHDAY: 2018-12-01T14:10:47.251035
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C17H21NO4

SMILES: CC(C)C[C@@H](C(=O)O)N1C=CCO[C@@H](c2ccccc2)C1=O

BIRTHDAY: 2018-12-01T14:10:47.258681
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C22H22F4N4O5

SMILES: O=C(N[C@H]1NN[C@]2(CCCCON(Cc3ccc(F)cc3)C2=O)O1)c1ccc(OC(F)(F)F)cc1

BIRTHDAY: 2018-12-01T14:10:47.270208
ATC: A02B
- ALIMENTARY TRACT AND METABOLISM
- DRUGS FOR ACID RELATED DISORDERS
- DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:C17H18F3NO5

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

BIRTHDAY: 2018-12-25T02:02:49.951570
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C17H18F3NO5

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

BIRTHDAY: 2018-12-25T02:02:49.969900
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C17H16O6

SMILES: C=C(C(=O)c1c(O)cc(OC)cc1O)c1c(O)cccc1OC

BIRTHDAY: 2018-12-25T02:02:49.978300
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H15F3N2O5

SMILES: O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2)c1

BIRTHDAY: 2018-12-25T02:02:49.989407
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C22H18N2O5

SMILES: COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1

BIRTHDAY: 2018-12-25T02:02:49.998627
ATC: L04A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- IMMUNOSUPPRESSANTS
- IMMUNOSUPPRESSANTS
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@]1(O)CC(=O)CO1

BIRTHDAY: 2018-12-25T02:02:50.008358
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C22H18N2O5

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1

BIRTHDAY: 2018-12-25T02:02:50.017618
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C23H26N2O6

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

BIRTHDAY: 2018-12-25T02:02:50.027516
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(=O)O)cc1)C(=O)N[C@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-12-25T02:02:50.037104
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@]1(O)CCOC1=O

BIRTHDAY: 2018-12-25T02:02:50.046793
ATC: V04C
- VARIOUS
- DIAGNOSTIC AGENTS
- OTHER DIAGNOSTIC AGENTS
Synthesis Plan
FORMULA:C22H22N2O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(/C(C#N)=C\c2ccccc2)cc1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:50.064695
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C16H14O6

SMILES: COc1cc(/C=C/C(=O)c2cc(O)c(O)c(O)c2)ccc1O

BIRTHDAY: 2018-12-25T02:02:50.072652
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:C21H30N2O5

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-12-25T02:02:50.082034
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C17H18F3NO5

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(/C(=C\C(=O)O)C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-25T02:02:50.091259
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C16H16F3NO5

SMILES: CC(C)[C@@H](NC(=O)c1ccc(/C(=C\C(=O)O)C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:53.898382
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C37H39N7O4

SMILES: COc1cccc(C(=O)Nc2ccc(C(=O)N[C@@H]3CNCc4cc(c(C)c5nc[nH]c45)Oc4cccc(c4)CN4CCN3CC4)cc2)c1

BIRTHDAY: 2018-12-03T02:38:53.912681
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C23H26N2O6

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

BIRTHDAY: 2018-12-03T02:38:53.922308
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C21H20N2O3

SMILES: CC(C)[C@@H](NC(=O)c1ccc(/C(C#N)=C\c2ccccc2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T02:38:53.939653
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C27H22ClN3O7

SMILES: COc1cccc2c1CC(C(=O)O)=C(C(=O)Nc1ccccc1Cl)N2CC(=O)Nc1ccc(C(=O)O)cc1

BIRTHDAY: 2018-12-03T02:38:53.952006
ATC: B02A
- BLOOD AND BLOOD FORMING ORGANS
- ANTIHEMORRHAGICS
- ANTIFIBRINOLYTICS
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(C)(C)C)c1)C(=O)N[C@H]1C(=O)CO[C@@H]1O

BIRTHDAY: 2018-12-03T02:38:53.969969
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C33H32N2O9

SMILES: COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc([C@@]4(C)O[C@@]5(C)C(=O)[C@@H](O)[C@@](C)(C5=O)[C@@]4(C)C(=O)O)cc3)cc2)cc1

BIRTHDAY: 2018-12-03T02:38:53.983708
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C23H34N6O8

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

BIRTHDAY: 2018-12-03T02:38:54.007876
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C37H42N4O2

SMILES: Cc1nc(-c2ccc(CN3[C@@H]4CC[C@@H]3CC(=C(c3ccccc3)c3ccc(C(=O)N[C@@H](C)CC(C)C)cc3)C4)cc2)no1

BIRTHDAY: 2018-12-03T02:38:54.020446
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C16H14O5

SMILES: C=C(C(=O)c1cccc(O)c1O)c1cccc(O)c1OC

BIRTHDAY: 2018-12-03T02:38:54.028160
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-12-03T02:38:54.037291
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C16H14O6

SMILES: C=C(C(=O)c1c(O)ccc(O)c1O)c1cc(OC)ccc1O

BIRTHDAY: 2018-12-03T02:38:54.054506
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C17H15F6NO4

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

BIRTHDAY: 2018-11-30T03:40:50.962613
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C22H22N2O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1/C(C#N)=C\c1ccccc1)C(=O)O

BIRTHDAY: 2018-11-30T03:40:50.970910
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C24H22F6N2O4

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1/C(=C\C(=O)O)C(F)(F)F)C(=O)NCc1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-30T03:40:50.983935
ATC: N05C
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- HYPNOTICS AND SEDATIVES
Synthesis Plan
FORMULA:C23H23ClN4O4S

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@]1(c2cccc(Cl)c2)C=NN=CS1

BIRTHDAY: 2018-11-30T03:40:50.994842
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@]1(O)OCCC1=O

BIRTHDAY: 2018-11-30T03:40:51.004049
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C21H26N2O4

SMILES: OC1=C[C@@H]2NCCC=CC=CC[C@](O)(c3cccc(O)c3O)NC[C@@H]2C=C1

BIRTHDAY: 2018-11-30T03:40:51.021837
ATC: J01F
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:C16H14O6

SMILES: COc1cc(/C=C\C(=O)c2cc(O)c(O)c(O)c2)ccc1O

BIRTHDAY: 2018-11-30T03:40:51.029812
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:C17H19F3N4O3S

SMILES: CC(C)[C@@H](Nc1cnns1)C(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-30T03:40:51.040197
ATC: J05A
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIVIRALS FOR SYSTEMIC USE
- DIRECT ACTING ANTIVIRALS
Synthesis Plan
FORMULA:C21H31N3O

SMILES: Cc1ccccc1CNC(=O)[C@@H](CC(C)C)NC1=C[C@@H]2CCN[C@@H]1C2

BIRTHDAY: 2018-11-30T03:40:51.048263
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C25H30Cl2N2O2

SMILES: Cc1cccc(CC2=CC(=O)[C@H](N[C@H](C)C(C)C)OCCN2c2cccc(Cl)c2Cl)c1

BIRTHDAY: 2018-11-30T03:40:51.057996
ATC: G01A
- GENITO URINARY SYSTEM AND SEX HORMONES
- GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
- ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis Plan
FORMULA:C22H18N2O5

SMILES: COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1

BIRTHDAY: 2018-11-30T03:40:51.075990
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H16O6

SMILES: COc1cc(/C=C\C(=O)c2cc(O)c(O)c(OC)c2)ccc1O

BIRTHDAY: 2018-11-30T03:40:51.084023
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C22H24N2O6

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

BIRTHDAY: 2018-11-30T03:40:51.093482
ATC: S01B
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFLAMMATORY AGENTS
Synthesis Plan
FORMULA:C21H20N2O3

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

BIRTHDAY: 2018-11-30T03:40:51.101811
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C19H18N2O4

SMILES: CC(C)[C@H](NC(=O)c1ccccc1/C(C#N)=C/c1ccoc1)C(=O)O

BIRTHDAY: 2018-11-30T03:40:51.110394
ATC: L01D
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
Synthesis Plan
FORMULA:C17H18F3NO5

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.226011
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C26H38N4O6

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(=O)O)cc1)C(=O)N[C@@H](CCCN1C=CNCCCCC1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.237338
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C30H37N3O6

SMILES: CC(C)[C@H](NC(=O)c1ccccc1/C(=C\C(=O)O)[C@@H]1COCC=CCCNCc2cccc(c2)CN1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.255013
ATC: C02A
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:C16H14O6

SMILES: COc1cc(/C=C/C(=O)c2ccc(O)c(O)c2O)ccc1O

BIRTHDAY: 2018-11-19T08:12:24.291128
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C23H23F3N2O4

SMILES: CC(C)[C@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)C(=O)NCc1ccccc1

BIRTHDAY: 2018-11-19T08:12:24.316837
ATC: N01A
- NERVOUS SYSTEM
- ANESTHETICS
- ANESTHETICS, GENERAL
Synthesis Plan
FORMULA:C21H28F3N5O5

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

BIRTHDAY: 2018-11-19T08:12:24.334130
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C24H35N3O5

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CO[C@@]2(C(N)=O)[C@H](CO)[C@H]12

BIRTHDAY: 2018-11-19T08:12:24.356214
ATC: J01M
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- QUINOLONE ANTIBACTERIALS
Synthesis Plan
FORMULA:C17H15F6NO4

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)C(=O)C(F)(F)F

BIRTHDAY: 2018-11-19T08:12:24.366708
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C22H15Cl2NO3

SMILES: O=C(O)C1=C(c2ccccc2)[C@@H](c2ccccc2)ON1c1ccc(Cl)c(Cl)c1

BIRTHDAY: 2018-11-19T08:12:24.375885
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C20H21ClN2O4

SMILES: CC(C)(CCCl)C(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1

BIRTHDAY: 2018-11-19T08:12:24.384864
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C21H15N3O6

SMILES: O=C(O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1

BIRTHDAY: 2018-11-19T08:12:24.403693
ATC: D01A
- DERMATOLOGICALS
- ANTIFUNGALS FOR DERMATOLOGICAL USE
- ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:C17H11ClN4OS

SMILES: O=C1S/C(=C\c2n[nH]c3cc(Cl)ccc23)N/C1=N/c1ccccc1

BIRTHDAY: 2018-11-19T08:12:24.412323
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1cc(/C=C\C(=O)c2ccc(O)c(O)c2)ccc1O

BIRTHDAY: 2018-11-19T08:12:24.419768
ATC: P03B
- ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
- ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
- INSECTICIDES AND REPELLENTS
Synthesis Plan
FORMULA:C20H20N2O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(/C(C#N)=C\c2ccco2)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.428298
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C16H14O6

SMILES: C=C(C(=O)c1c(O)cc(O)cc1O)c1cc(OC)ccc1O

BIRTHDAY: 2018-11-19T08:12:24.445277
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C32H42N2O6

SMILES: CC(C)C[C@@H](NC(=O)c1cccc([C@]23[C@H]4CN[C@]25OCOCC[C@H]3[C@H](CC5=O)O4)c1)C1(O)C2CC3CC1CC3C2

BIRTHDAY: 2018-11-19T08:12:24.457348
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C25H29NO5S

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1/C(=C1\CCCCS1(=O)=O)c1ccccc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.468947
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C21H28F3N5O5

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

BIRTHDAY: 2018-11-19T08:12:24.489512
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C23H23F3N2O4

SMILES: CC(C)[C@H](NC(=O)c1ccc(/C(=C/C(=O)O)C(F)(F)F)cc1)C(=O)NCc1ccccc1

BIRTHDAY: 2018-11-19T08:12:24.499476
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C14H16N2O2

SMILES: C[C@@]1(C#N)C[C@@]2(c3ccccc3)CO[C@@](N)(C2)O1

BIRTHDAY: 2018-11-19T08:12:24.506865
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C21H20N2O3

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

BIRTHDAY: 2018-11-19T08:12:24.515193
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C20H20N2O3S

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1/C(C#N)=C\c1ccsc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.523623
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C21H28F3N5O5

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

BIRTHDAY: 2018-11-19T08:12:24.534995
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:C26H23ClN4O

SMILES: Clc1ccc2cc3cc(c2c1)-c1ccnc(n1)Nc1cccc(c1)CNCC=CCOC3

BIRTHDAY: 2018-11-19T08:12:24.544761
ATC: M03A
- MUSCULO-SKELETAL SYSTEM
- MUSCLE RELAXANTS
- MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:C20H20F3NO3S

SMILES: CC(C)C[C@H](NC(=O)c1ccc(/C(=C/c2cccs2)C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.553943
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C17H16O6

SMILES: COc1cc(/C=C/C(=O)c2cc(O)c(O)c(OC)c2)ccc1O

BIRTHDAY: 2018-11-19T08:12:24.561856
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C17H18F3NO5

SMILES: CC(C)C[C@H](NC(=O)c1ccc(/C(=C\C(=O)O)C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.571029
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C30H37N3O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]12COCC(C)(C)CN[C@]1(c1ccccc1)C(=O)CO2

BIRTHDAY: 2018-11-19T08:12:24.584512
ATC: G03D
- GENITO URINARY SYSTEM AND SEX HORMONES
- SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
- PROGESTOGENS
Synthesis Plan
FORMULA:C26H34N2O7

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)N1C[C@H]2CCC[C@H](CC2)[C@@]12CO[C@@H](O)C2=O

BIRTHDAY: 2018-11-19T08:12:24.615874
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C18H23N3O3

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(=O)O)cc1)C1=NNCC=CC1

BIRTHDAY: 2018-11-19T08:12:24.624341
ATC: C02D
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- ARTERIOLAR SMOOTH MUSCLE, AGENTS ACTING ON
Synthesis Plan
FORMULA:C28H22N2O5

SMILES: O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3OCc3ccccc3)c2)c1

BIRTHDAY: 2018-11-19T08:12:24.634658
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C19H23NO3

SMILES: CC(C)(C)[C@H](NC(=O)c1ccc([C@H]2C=CC=CC2)cc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.642105
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(=O)O)cc1)C(=O)N[C@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-11-19T08:12:24.651765
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-11-19T08:12:24.661279
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C24H22F3N3O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1/C(C#N)=C\C(=O)O)C(=O)Nc1ccccc1C(F)(F)F

BIRTHDAY: 2018-11-19T08:12:24.672435
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:C21H20N2O3

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1/C(C#N)=C\c1ccccc1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.680913
ATC: C01D
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- VASODILATORS USED IN CARDIAC DISEASES
Synthesis Plan
FORMULA:C24H27N7O3

SMILES: CC(C)[C@H](C#N)NC(=O)c1ccc(C2=CN(C#N)CNc3cncc(n3)OCCCCO2)cc1

BIRTHDAY: 2018-11-19T08:12:24.692067
ATC: L01C
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
Synthesis Plan
FORMULA:C34H35ClN4O4

SMILES: CC(C)C[C@H](N[C@@H]1C=CCOCc2cccc(c2)Nc2nc(-c3ccc(Cl)cc3)cc(n2)-c2cccc(c2)OC1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.704740
ATC: L01B
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ANTIMETABOLITES
Synthesis Plan
FORMULA:C22H22N2O3

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

BIRTHDAY: 2018-11-19T08:12:24.713421
ATC: N07C
- NERVOUS SYSTEM
- OTHER NERVOUS SYSTEM DRUGS
- ANTIVERTIGO PREPARATIONS
Synthesis Plan
FORMULA:C11H18N2O4

SMILES: CC(C)C[C@H](NC1=C[C@@H](CC(=O)O)N1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.720779
ATC: J04B
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIMYCOBACTERIALS
- DRUGS FOR TREATMENT OF LEPRA
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@]1(O)CC(=O)CO1

BIRTHDAY: 2018-11-19T08:12:24.730458
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C16H14O6

SMILES: C=C(C(=O)c1c(O)ccc(O)c1O)c1cc(O)cc(OC)c1

BIRTHDAY: 2018-11-19T08:12:24.738817
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C24H33N3O5

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C23CCN(CC2)CC3)cc1)C(=O)N[C@@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-11-19T08:12:24.748994
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C22H27F3N2O5

SMILES: CC(C)C[C@@]1(NC(=O)c2ccc(/C(=C\C(=O)O)C(F)(F)F)cc2)OC(C)(C)CN(C)C1=O

BIRTHDAY: 2018-11-19T08:12:24.760357
ATC: J01C
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Synthesis Plan
FORMULA:C17H16O6

SMILES: C=C(C(=O)c1c(OC)ccc(O)c1O)c1cc(OC)ccc1O

BIRTHDAY: 2018-11-19T08:12:24.768729
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]1(O)CC(=O)CO1

BIRTHDAY: 2018-11-19T08:12:24.778251
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C17H18F3NO5

SMILES: CC(C)C[C@H](NC(=O)c1cccc(/C(=C/C(=O)O)C(F)(F)F)c1)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.787233
ATC: A12A
- ALIMENTARY TRACT AND METABOLISM
- MINERAL SUPPLEMENTS
- CALCIUM
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(=O)O)cc1)C(=O)N[C@@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-11-19T08:12:24.796748
ATC: S01A
- SENSORY ORGANS
- OPHTHALMOLOGICALS
- ANTIINFECTIVES
Synthesis Plan
FORMULA:C17H16O6

SMILES: COc1cc(/C=C/C(=O)c2cc(O)c(OC)cc2O)ccc1O

BIRTHDAY: 2018-11-19T08:12:24.815051
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C25H25N3O6S

SMILES: Cc1cc2cc(c1)Sc1cc(nc(C(C)(C)C(=O)O)n1)-c1cccc(c1)C(O)(O)NC(=O)CCO2

BIRTHDAY: 2018-11-19T08:12:24.826292
ATC: R06A
- RESPIRATORY SYSTEM
- ANTIHISTAMINES FOR SYSTEMIC USE
- ANTIHISTAMINES FOR SYSTEMIC USE
Synthesis Plan
FORMULA:C23H23ClN4O4S

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]1(c2cccc(Cl)c2)C=NN=CS1

BIRTHDAY: 2018-11-19T08:12:24.837213
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C22H14Cl3NO3

SMILES: O=C(O)C1=C(c2ccc(Cl)cc2)N(c2ccc(Cl)c(Cl)c2)O[C@H]1c1ccccc1

BIRTHDAY: 2018-11-19T08:12:24.847000
ATC: N06A
- NERVOUS SYSTEM
- PSYCHOANALEPTICS
- ANTIDEPRESSANTS
Synthesis Plan
FORMULA:C16H16F3NO5

SMILES: CC(C)[C@@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)C(=O)O

BIRTHDAY: 2018-11-19T08:12:24.857132
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C28H25N3O5

SMILES: COc1ccccc1C(=O)N1c2cccc(c2)COCC=CCOCc2ccc(o2)-c2ccnc1n2

BIRTHDAY: 2018-11-30T17:23:12.613590
ATC: G02A
- GENITO URINARY SYSTEM AND SEX HORMONES
- OTHER GYNECOLOGICALS
- UTEROTONICS
Synthesis Plan
FORMULA:C24H26N5O3P

SMILES: CC(C)C[C@H](NC(=O)c1ncnpn1)C(=O)N[C@H](Cc1ccccc1)C(=O)c1ccccc1

BIRTHDAY: 2018-11-30T17:23:12.624776
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C24H37N3O2

SMILES: Cc1ccc(NC(=O)C(C)(C)C)c(C(=O)N2C[C@@H]3NC[C@@H]2C[C@]3(C)C(C)C)c1C

BIRTHDAY: 2018-11-30T17:23:12.642616
ATC: C01C
- CARDIOVASCULAR SYSTEM
- CARDIAC THERAPY
- CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Synthesis Plan
FORMULA:C22H16Cl3NO3

SMILES: O=C(O)C1=C(c2ccc(Cl)cc2)[C@]2(C[C@H]3C=C[C@H]2C3)ON1c1ccc(Cl)cc1Cl

BIRTHDAY: 2018-11-30T17:23:12.652186
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C22H21ClN4O4S

SMILES: CC(C)[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]1(c2cccc(Cl)c2)C=NN=CS1

BIRTHDAY: 2018-11-30T17:23:12.662869
ATC: C09C
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:C23H29F3N4O7

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)[C@@]1(O)NC(C)(C)C(=O)[C@@](N)(C(=O)O)N1

BIRTHDAY: 2018-11-30T17:23:12.693051
ATC: N02A
- NERVOUS SYSTEM
- ANALGESICS
- OPIOIDS
Synthesis Plan
FORMULA:C16H14O5

SMILES: C=C(C(=O)c1cccc(O)c1O)c1cc(OC)ccc1O

BIRTHDAY: 2018-11-30T17:23:12.700667
ATC: N02B
- NERVOUS SYSTEM
- ANALGESICS
- OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:C12H17NO6

SMILES: CC(C)C[C@H]1COc2onc([C@H](O)C(=O)O)c2OC1

BIRTHDAY: 2018-11-30T17:23:12.708613
ATC: R03D
- RESPIRATORY SYSTEM
- DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
- OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:C16H14O5

SMILES: COc1cc(/C=C\C(=O)c2c(O)cccc2O)ccc1O

BIRTHDAY: 2018-11-30T17:23:12.736172
ATC: M04A
- MUSCULO-SKELETAL SYSTEM
- ANTIGOUT PREPARATIONS
- ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:C17H18F3NO5

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1/C(=C/C(=O)O)C(F)(F)F)C(=O)O

BIRTHDAY: 2018-12-02T16:06:20.897001
ATC: D05A
- DERMATOLOGICALS
- ANTIPSORIATICS
- ANTIPSORIATICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C22H20O7

SMILES: COc1ccc(/C=C\C(=O)c2cc(O)c(O)c(O)c2)c2c1[C@H]1C[C@H]2[C@H](O)CC1=O

BIRTHDAY: 2018-12-02T16:06:20.931946
ATC: V03A
- VARIOUS
- ALL OTHER THERAPEUTIC PRODUCTS
- ALL OTHER THERAPEUTIC PRODUCTS
Synthesis Plan
FORMULA:C18H22N2O7

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@]1(O)OCCC1=O

BIRTHDAY: 2018-12-02T16:06:20.941419
ATC: C09D
- CARDIOVASCULAR SYSTEM
- AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
- ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis Plan
FORMULA:C19H22N3O7P

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@]12OCC(=O)C1=CNPO2

BIRTHDAY: 2018-12-02T16:06:21.016740
ATC: H02C
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CORTICOSTEROIDS FOR SYSTEMIC USE
- ANTIADRENAL PREPARATIONS
Synthesis Plan
FORMULA:C16H16F3NO5

SMILES: CC(C)[C@H](NC(=O)c1ccc(/C(=C\C(=O)O)C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-03T10:42:42.464309
ATC: A07B
- ALIMENTARY TRACT AND METABOLISM
- ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
- INTESTINAL ADSORBENTS
Synthesis Plan
FORMULA:C23H23ClN4O4S

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(=O)O)cc1)C(=O)NC1=NN=C(c2ccc(Cl)cc2)CS1

BIRTHDAY: 2018-12-03T10:42:42.475155
ATC: A16A
- ALIMENTARY TRACT AND METABOLISM
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
- OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(=O)O[C@H]1O

BIRTHDAY: 2018-12-03T10:42:42.484179
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@]1(O)CC(=O)CO1

BIRTHDAY: 2018-12-03T10:42:42.493369
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C27H20N2O5

SMILES: O=C(O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)cc1

BIRTHDAY: 2018-12-03T10:42:42.503335
ATC: D11A
- DERMATOLOGICALS
- OTHER DERMATOLOGICAL PREPARATIONS
- OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:C15H11O10Sb

SMILES: C=C(C(=O)[C@@]12O[Sb](OC1=O)OC2(C(=O)O)C(=O)O)c1ccccc1OC

BIRTHDAY: 2018-12-03T10:42:42.514261
ATC: L01A
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- ALKYLATING AGENTS
Synthesis Plan
FORMULA:C22H15F3N2O5

SMILES: O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OC(F)(F)F)c3)c2)c1

BIRTHDAY: 2018-12-03T10:42:42.534183
ATC: C10A
- CARDIOVASCULAR SYSTEM
- LIPID MODIFYING AGENTS
- LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:C20H25F3N2O3

SMILES: CC(C)[C@@]12CCC[C@@H](COC1)[C@@]2(C(N)=O)C(=O)Nc1cccc(C(F)(F)F)c1

BIRTHDAY: 2018-12-03T10:42:42.543884
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C20H22ClN3O

SMILES: C[C@@]1(c2ccncc2)CC2(NC(=O)c3cccc(Cl)c3)CCN1CC2

BIRTHDAY: 2018-12-03T10:42:42.561283
ATC: B05X
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- I.V. SOLUTION ADDITIVES
Synthesis Plan
FORMULA:C23H32N6O6

SMILES: CC(C)C[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N[C@H](C1=COC=C(N)O1)C(C)(C)N=C(N)N

BIRTHDAY: 2018-12-03T10:42:42.581795
ATC: D06A
- DERMATOLOGICALS
- ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
- ANTIBIOTICS FOR TOPICAL USE
Synthesis Plan
FORMULA:C21H21F3N2O4

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

BIRTHDAY: 2018-12-03T10:42:42.611204
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:C36H46N4O4

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)c1cccc2c1N(CC(C)C)C=C1[C@@H]2C[C@H]2C[C@H]3C[C@H]1[C@@H]2N3)c1ccccc1

BIRTHDAY: 2018-12-03T19:11:07.553498
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C22H15Cl2NO3

SMILES: O=C(O)[C@@]1(c2ccccc2)ON(c2c(Cl)cccc2Cl)C=C1c1ccccc1

BIRTHDAY: 2018-12-03T19:11:07.573358
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:C20H21N3O3S

SMILES: COc1ccccc1C(=O)Nc1ccc(C(=O)NC2=NCCCSC2)cc1

BIRTHDAY: 2018-12-03T19:11:07.600418
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C16H14O7

SMILES: C=C(C(=O)c1c(O)ccc(O)c1O)c1c(O)cc(OC)cc1O

BIRTHDAY: 2018-12-03T19:11:07.608961
ATC: C03B
- CARDIOVASCULAR SYSTEM
- DIURETICS
- LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis Plan
FORMULA:C21H30N2O5

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1C(C)(C)C)C(=O)N[C@@]1(O)CC(=O)CO1

BIRTHDAY: 2018-12-03T19:11:07.618032
ATC: C08C
- CARDIOVASCULAR SYSTEM
- CALCIUM CHANNEL BLOCKERS
- SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis Plan
FORMULA:C21H28F3N5O5

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

BIRTHDAY: 2018-12-03T19:11:07.629452
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:C21H28F3N5O5

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

BIRTHDAY: 2018-12-03T19:11:07.667754
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:C21H30N2O5

SMILES: CC(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(=O)O[C@@H]1O

BIRTHDAY: 2018-12-03T19:11:07.676722
ATC: N03A
- NERVOUS SYSTEM
- ANTIEPILEPTICS
- ANTIEPILEPTICS
Synthesis Plan
FORMULA:C21H20N2O3

SMILES: CC(C)[C@H](NC(=O)c1ccc(/C(C#N)=C\c2ccccc2)cc1)C(=O)O

BIRTHDAY: 2018-12-03T19:11:07.685135
ATC: H05A
- SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
- CALCIUM HOMEOSTASIS
- PARATHYROID HORMONES AND ANALOGUES
Synthesis Plan
FORMULA:C31H33N5O4

SMILES: COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc([C@]4(C)[CH-]N=[NH+][C@]45OC=N[C@@H]5C(C)(C)C)c3)c2)c1

BIRTHDAY: 2018-12-01T22:30:12.417051
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C17H16O6

SMILES: C=C(C(=O)c1c(OC)ccc(O)c1O)c1cccc(OC)c1O

BIRTHDAY: 2018-12-01T22:30:12.442651
ATC: V09C
- VARIOUS
- DIAGNOSTIC RADIOPHARMACEUTICALS
- RENAL SYSTEM
Synthesis Plan
FORMULA:C23H26N2O6

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

BIRTHDAY: 2018-12-01T22:30:12.452495
ATC: B05A
- BLOOD AND BLOOD FORMING ORGANS
- BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
- BLOOD AND RELATED PRODUCTS
Synthesis Plan
FORMULA:C26H24N2O4

SMILES: COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C2(O)C3CC2C3)c1

BIRTHDAY: 2018-12-01T22:30:12.464643
ATC: L01X
- ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
- ANTINEOPLASTIC AGENTS
- OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:C35H37ClN4O4

SMILES: CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)O)c1c2cccc1OCC=CCn1cnc(c1)C[C@@H](c1ccccc1Cl)NC2

BIRTHDAY: 2018-12-01T22:30:12.496322
ATC: J01X
- ANTIINFECTIVES FOR SYSTEMIC USE
- ANTIBACTERIALS FOR SYSTEMIC USE
- OTHER ANTIBACTERIALS
Synthesis Plan
FORMULA:C22H22F3NO3

SMILES: CC(C)C[C@H](NC(=O)c1ccc(/C(=C/c2ccccc2)C(F)(F)F)cc1)C(=O)O

BIRTHDAY: 2018-12-01T22:30:12.523754
ATC: C02K
- CARDIOVASCULAR SYSTEM
- ANTIHYPERTENSIVES
- OTHER ANTIHYPERTENSIVES
Synthesis Plan
FORMULA:C26H32N2O5

SMILES: Cc1cc(C)c(C)c(C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)c2ccccc2)c1

BIRTHDAY: 2018-12-01T22:30:12.544397
ATC: N05A
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANTIPSYCHOTICS
Synthesis Plan
FORMULA:C25H21ClO3S

SMILES: O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC[C@@H]1OCc1ccccc1

BIRTHDAY: 2018-12-01T22:30:12.553276
ATC: N05B
- NERVOUS SYSTEM
- PSYCHOLEPTICS
- ANXIOLYTICS
Synthesis Plan
FORMULA:C23H27NO3

SMILES: CC(C)/C(=C\c1ccccc1)c1ccccc1C(=O)N[C@@H](C(=O)O)C(C)C

BIRTHDAY: 2018-12-01T22:30:12.561585
ATC: M01A
- MUSCULO-SKELETAL SYSTEM
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
- ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan