matter.farm
Computer-generated molecule database for public drug discovery.
About this project.
These compounds may interact with:
T cell receptor alpha variable 4
No disease data available for this receptor.
Unknown Action
FORMULA:
C33H36N4O3
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C4=C[C@H]5CNC[C@H](C4)C5)cc3)c2)c1
BIRTHDAY:
2018-12-01T14:11:51.146917
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C26H24F3N3O3
SMILES:
CC(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-12-01T14:11:51.157547
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C22H17F3N2O3
SMILES:
COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1
BIRTHDAY:
2018-12-01T14:11:51.167214
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C44H49N3O6
SMILES:
C[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1[C@@H]1CC=CCCCCCCOCCC1)c1cccc2c1OCO2
BIRTHDAY:
2018-12-01T14:11:51.185603
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis Plan
FORMULA:
C23H18F3N3O3
SMILES:
CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-12-01T14:11:51.195954
ATC:
G04B
GENITO URINARY SYSTEM AND SEX HORMONES
UROLOGICALS
UROLOGICALS
Synthesis Plan
FORMULA:
C32H28N4O5
SMILES:
O=C(Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)c2)cc1)c1ccccc1
BIRTHDAY:
2018-12-01T14:11:51.218166
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C28H27N3O3
SMILES:
COc1ccccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C3=CN4CCC3CC4)c2)c1
BIRTHDAY:
2018-12-01T14:11:51.228134
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C29H29N3O6
SMILES:
O=C1CC=CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)NCc2cccc(O)c2)NC[C@H](c2ccc(O)cc2)N1
BIRTHDAY:
2018-12-01T14:11:51.239598
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C22H17F3N2O3
SMILES:
COc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1
BIRTHDAY:
2018-12-01T14:11:51.260859
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H14F3N3O4
SMILES:
O=C(Nc1ccccc1C(F)(F)F)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
BIRTHDAY:
2018-12-01T14:11:51.271332
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C15H21N3O3S
SMILES:
CC(C)CC(=O)N1CSCN[C@H]1C(=O)Nc1ccccc1O
BIRTHDAY:
2018-12-01T14:11:51.290545
ATC:
M01C
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis Plan
FORMULA:
C28H20F3N3O4
SMILES:
O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1O
BIRTHDAY:
2018-12-01T14:11:51.305085
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C21H15F3N2O3
SMILES:
O=C(Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccc(O)cc1
BIRTHDAY:
2018-12-25T02:03:52.973504
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C22H17F3N2O3
SMILES:
COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1
BIRTHDAY:
2018-12-25T02:03:53.003650
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:
C28H20F3N3O4
SMILES:
O=C(Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)c1)c1ccc(O)cc1
BIRTHDAY:
2018-12-25T02:03:53.025133
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:
C37H39N3O4
SMILES:
COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(-c4c5cccc4CCCC(=O)C[C@H](C)NCCC5)c3)c2)c1
BIRTHDAY:
2018-12-25T02:03:53.037524
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:
C26H24F3N3O3
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1
BIRTHDAY:
2018-12-25T02:03:53.067815
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H26N2O2
SMILES:
Cc1ccc(C)c(NC(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)c1
BIRTHDAY:
2018-12-25T02:03:53.075332
ATC:
J01F
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis Plan
FORMULA:
C22H24N4O5
SMILES:
COc1ccc(C(=O)Nc2ccc(C(=O)N[C@]3(C(N)=O)[C@H]4CCCN3CO4)cc2)cc1
BIRTHDAY:
2018-12-25T02:03:53.121444
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C14H12N2O6
SMILES:
O=C(NNC(=O)c1cc(O)c(O)c(O)c1)c1cccc(O)c1
BIRTHDAY:
2018-12-03T02:39:59.286922
ATC:
C02A
CARDIOVASCULAR SYSTEM
ANTIHYPERTENSIVES
ANTIADRENERGIC AGENTS, CENTRALLY ACTING
Synthesis Plan
FORMULA:
C28H20F3N3O4
SMILES:
O=C(Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1)c1cccc(O)c1
BIRTHDAY:
2018-12-03T02:39:59.340189
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C43H41N7O4S
SMILES:
CC(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc2c3nc(nc2c1)Nc1cccc(c1)CNCC=CCOCc1ccc-3s1
BIRTHDAY:
2018-12-03T02:39:59.391646
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H20F2N8O2
SMILES:
O=C(Nc1ccc(-c2nc3nc4c(cnn4CCCCC(F)F)c(=O)n3[nH]2)cc1)c1ccccn1
BIRTHDAY:
2018-12-03T02:39:59.413838
ATC:
D11A
DERMATOLOGICALS
OTHER DERMATOLOGICAL PREPARATIONS
OTHER DERMATOLOGICAL PREPARATIONS
Synthesis Plan
FORMULA:
C23H19F3N2O2
SMILES:
Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1
BIRTHDAY:
2018-12-03T02:39:59.423831
ATC:
B01A
BLOOD AND BLOOD FORMING ORGANS
ANTITHROMBOTIC AGENTS
ANTITHROMBOTIC AGENTS
Synthesis Plan
FORMULA:
C28H20F3N3O4
SMILES:
O=C(Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1)c1ccc(O)cc1
BIRTHDAY:
2018-11-30T03:41:55.394922
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C11H21N3O2
SMILES:
CC(C)(C)CC1=NN[C@H](C(=O)NO)CCC1
BIRTHDAY:
2018-11-30T03:41:55.423788
ATC:
M01C
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
SPECIFIC ANTIRHEUMATIC AGENTS
Synthesis plan pending
FORMULA:
C27H33N5O4
SMILES:
COc1ccccc1C(=O)Nc1ccccc1C(=O)N1C=CCN[C@H]2NC(=O)C(C)(C)NC[C@H]2CC1
BIRTHDAY:
2018-11-30T03:41:55.481850
ATC:
C03B
CARDIOVASCULAR SYSTEM
DIURETICS
LOW-CEILING DIURETICS, EXCL. THIAZIDES
Synthesis plan pending
FORMULA:
C37H43N7O3S
SMILES:
CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H]3CNCCCCNCc4cccc(c4)-c4cc(ncn4)SC3)cc2)cc1
BIRTHDAY:
2018-11-30T03:41:55.506158
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C22H17F3N2O3
SMILES:
COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
BIRTHDAY:
2018-11-30T03:41:55.527116
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:
C23H34N2O2
SMILES:
Cc1cccc(C(=O)N2C3CCCC2(NC(=O)CC(C)(C)C)CCC3)c1C
BIRTHDAY:
2018-11-19T08:16:14.611375
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:
C30H33F2N3O4
SMILES:
N[C@]1(c2ccccc2F)CCCCNc2ccc(cc2)CCCO[C@](O)(CC(=O)Nc2ccccc2F)C1=O
BIRTHDAY:
2018-11-19T08:16:14.632925
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C27H25NO3
SMILES:
CC(C)[C@]1(C(=O)Nc2cccc(OC(=O)c3ccccc3)c2)C=CC2=C1C=CC=CC2
BIRTHDAY:
2018-11-19T08:16:14.641785
ATC:
V08C
VARIOUS
CONTRAST MEDIA
MAGNETIC RESONANCE IMAGING CONTRAST MEDIA
Synthesis plan pending
FORMULA:
C18H18N2O
SMILES:
O=C1[C@@H]2[C@@H]3[C@@H]4C[C@H]2[C@]2(N5N=C[C@@H]6C=CC=C[C@H]65)[C@H]4C[C@H]3[C@@H]12
BIRTHDAY:
2018-11-19T08:16:14.659467
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:
C14H18OS
SMILES:
CC(C)C[C@@]12C=CC=C[C@H]1C=CCC(=O)S2
BIRTHDAY:
2018-11-19T08:16:14.665756
ATC:
J04A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIMYCOBACTERIALS
DRUGS FOR TREATMENT OF TUBERCULOSIS
Synthesis plan pending
FORMULA:
C20H15N3O2
SMILES:
COc1ccc(C2=N[C@]3(C#N)C=CC=C[C@@H]3N=C2c2ccco2)cc1
BIRTHDAY:
2018-11-19T08:16:14.674413
ATC:
C03C
CARDIOVASCULAR SYSTEM
DIURETICS
HIGH-CEILING DIURETICS
Synthesis plan pending
FORMULA:
C31H34N6O5
SMILES:
CC(C)CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)N[C@]2(C)NC(=O)C(=O)NCCNc3cccc2c3)c1
BIRTHDAY:
2018-11-19T08:16:14.687116
ATC:
V04C
VARIOUS
DIAGNOSTIC AGENTS
OTHER DIAGNOSTIC AGENTS
Synthesis plan pending
FORMULA:
C22H17F3N2O2
SMILES:
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(C(F)(F)F)c1
BIRTHDAY:
2018-11-19T08:16:14.718064
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis plan pending
FORMULA:
C27H25N3O4
SMILES:
CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc3occc3c2)cc1
BIRTHDAY:
2018-11-19T08:16:14.728194
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C19H23N3O2
SMILES:
COc1cccc(C(=O)Nc2cccc3c2CC[NH+](C)NC[CH-]3)c1
BIRTHDAY:
2018-11-19T08:16:14.736660
ATC:
S01E
SENSORY ORGANS
OPHTHALMOLOGICALS
ANTIGLAUCOMA PREPARATIONS AND MIOTICS
Synthesis plan pending
FORMULA:
C22H17F3N2O2
SMILES:
O=C(NCc1ccccc1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
BIRTHDAY:
2018-11-19T08:16:14.745767
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis plan pending
FORMULA:
C23H18F3N3O3
SMILES:
CC(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)c1
BIRTHDAY:
2018-11-19T08:16:14.756134
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C23H22FN3O5S
SMILES:
C[C@@]1(c2cccc([N+](=O)[O-])c2)[C@@H]2C=CC=C[C@@H]2N(CC(=O)NCc2cccc(F)c2)S1(=O)=O
BIRTHDAY:
2018-11-19T08:16:14.766971
ATC:
M02A
MUSCULO-SKELETAL SYSTEM
TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Synthesis plan pending
FORMULA:
C23H24N4O3S
SMILES:
CC(C)CC(=O)Nc1ccc(C2=NCS[C@@]23C=C(NC(=O)c2ccco2)C=CN3)cc1
BIRTHDAY:
2018-11-19T08:16:14.777871
ATC:
C09D
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, COMBINATIONS
Synthesis plan pending
FORMULA:
C28H26N2O6
SMILES:
CC(C)CC(=O)Nc1ccccc1C(=O)N1C=CC(c2ccoc2)(c2ccoc2)[C@@H](c2ccoc2)O1
BIRTHDAY:
2018-11-19T08:16:14.790634
ATC:
C09C
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ANGIOTENSIN II ANTAGONISTS, PLAIN
Synthesis plan pending
FORMULA:
C14H12N2O5
SMILES:
NN(C(=O)c1cccc(O)c1)C(=O)c1c(O)cccc1O
BIRTHDAY:
2018-11-19T08:16:14.798957
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis plan pending
FORMULA:
C29H50N2O2
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C(=O)NCC(C)C)cc1
BIRTHDAY:
2018-11-19T08:16:14.806987
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C27H26N4O5
SMILES:
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
BIRTHDAY:
2018-11-19T08:16:14.818348
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:
C24H25N5O5
SMILES:
COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)Nc2cncc(n2)OCCCCCO3)cc1
BIRTHDAY:
2018-11-19T08:16:14.829297
ATC:
L02B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis plan pending
FORMULA:
C28H23N3O4
SMILES:
Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc(O)c3)c2)cc1
BIRTHDAY:
2018-11-19T08:16:14.851495
ATC:
G01A
GENITO URINARY SYSTEM AND SEX HORMONES
GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
Synthesis plan pending
FORMULA:
C22H17F3N2O3
SMILES:
COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1
BIRTHDAY:
2018-11-19T08:16:14.871791
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C22H23F3N4O3
SMILES:
NN(C(=O)c1cccc(O)c1)[C@@]1(C(F)(F)F)C[C@@](N)(c2ccccc2)[C@H]2N[C@@H]1CCC2=O
BIRTHDAY:
2018-11-19T08:16:14.883730
ATC:
C08C
CARDIOVASCULAR SYSTEM
CALCIUM CHANNEL BLOCKERS
SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
Synthesis plan pending
FORMULA:
C17H15N3O2
SMILES:
COc1ccccc1C(=O)Nc1ccc(C2=NCC=N2)cc1
BIRTHDAY:
2018-11-19T08:16:14.901147
ATC:
J01F
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis plan pending
FORMULA:
C23H31NO3
SMILES:
CC1=C(C)C(C(=O)NCc2ccc(OC(=O)C(C)(C)C)cc2)=C(C(C)C)C1
BIRTHDAY:
2018-11-19T08:16:14.919535
ATC:
J01F
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis plan pending
FORMULA:
C33H26F3N5O2
SMILES:
COc1ccc(C(=O)Nc2ccccc2-c2cc3nc(n2)Nc2ccc(C(F)(F)F)c(c2)CCc2cccc(c2)N3)cc1
BIRTHDAY:
2018-11-19T08:16:14.932479
ATC:
J01F
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
Synthesis plan pending
FORMULA:
C23H18F3N3O3
SMILES:
CC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1
BIRTHDAY:
2018-11-19T08:16:14.942979
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis plan pending
FORMULA:
C21H15F3N2O3
SMILES:
O=C(Nc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1O
BIRTHDAY:
2018-11-19T08:16:14.967807
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:
C27H24F3N5O4
SMILES:
CC(C)[C@]1(N)N=COc2c(NC(=O)c3ccccc3NC(=O)c3ccccc3NC(=O)C(F)(F)F)cccc21
BIRTHDAY:
2018-11-19T08:16:14.981227
ATC:
P02C
ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
ANTHELMINTICS
ANTINEMATODAL AGENTS
Synthesis plan pending
FORMULA:
C36H32N6O3
SMILES:
NC(=O)c1cccc(C(=O)Nc2cccc(-c3cc4cc(c3)-c3ccnc(n3)Nc3cccc(c3)CNCC=CCCO4)c2)c1
BIRTHDAY:
2018-11-19T08:16:14.994111
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis plan pending
FORMULA:
C29H37N3O4
SMILES:
CC(C)[C@]1(C(=O)Nc2ccccc2OC(C)(C)N(C)C)C=C2CCO[C@H]3C=CC=C[C@@]3(C(N)=O)C2=C1
BIRTHDAY:
2018-11-19T08:16:15.005540
ATC:
J05A
ANTIINFECTIVES FOR SYSTEMIC USE
ANTIVIRALS FOR SYSTEMIC USE
DIRECT ACTING ANTIVIRALS
Synthesis plan pending
FORMULA:
C31H36N2O4
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)N2CCc3cccc(c3)OCCCCOc3ccc(cc3)C2)c1
BIRTHDAY:
2018-11-30T17:24:15.782213
ATC:
M01A
MUSCULO-SKELETAL SYSTEM
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
Synthesis Plan
FORMULA:
C15H24O2
SMILES:
CC1=CC=CC(=O)CCCCOCC[C@H](C)C1
BIRTHDAY:
2018-11-30T17:24:15.799958
ATC:
R03D
RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Synthesis Plan
FORMULA:
C18H16N4O5
SMILES:
Cc1c(C(=O)Nc2cc(O)cc(C(=O)NCc3ccccc3)c2)no[n+]1[O-]
BIRTHDAY:
2018-11-30T17:24:15.818970
ATC:
M04A
MUSCULO-SKELETAL SYSTEM
ANTIGOUT PREPARATIONS
ANTIGOUT PREPARATIONS
Synthesis Plan
FORMULA:
C29H35N3O4
SMILES:
CC(C)C1=C(C(=O)Nc2ccc(OCCCN(C)C)cc2)C2=C(C1)c1ccc(C(N)=O)cc1OCC2
BIRTHDAY:
2018-11-30T17:24:15.828878
ATC:
D10A
DERMATOLOGICALS
ANTI-ACNE PREPARATIONS
ANTI-ACNE PREPARATIONS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C30H29N3O5
SMILES:
COc1ccccc1C(=O)Nc1ccccc1C(=O)N1C=CN[C@]2(O)O[C@@H]1C[C@]13C=CC=C[C@]12C=CCC3
BIRTHDAY:
2018-11-30T17:24:15.840518
ATC:
M03A
MUSCULO-SKELETAL SYSTEM
MUSCLE RELAXANTS
MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
Synthesis Plan
FORMULA:
C21H23N3O3
SMILES:
Cc1ccccc1C(=O)Nc1cccc2c1NC=C[C@@](N)(C(C)C)C(=O)O2
BIRTHDAY:
2018-11-30T17:24:15.849432
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C26H24F3N3O3
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1
BIRTHDAY:
2018-11-30T17:24:15.860069
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C29H37N3O4
SMILES:
CC(C)[C@@]1(C(=O)Nc2ccccc2OC(C)(C)N(C)C)C=C2CCO[C@]3(C(N)=O)C=CC=C[C@@H]3C2=C1
BIRTHDAY:
2018-11-30T17:24:15.880833
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:
C24H29N3O4
SMILES:
CC(C)CC(=O)Nc1ccc(C(=O)Nc2ccc([C@@H]3N[C@H]4CC[C@H](CO3)O4)cc2)cc1
BIRTHDAY:
2018-12-02T16:07:24.991272
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C30H29N3O3
SMILES:
COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(C4=C[C@@H]5C[C@@H]6CC[C@@H]5N6C4)cc3)c2)cc1
BIRTHDAY:
2018-12-02T16:07:25.024301
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C32H28N4O5
SMILES:
O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
BIRTHDAY:
2018-12-02T16:07:25.078688
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C22H17F3N2O3
SMILES:
COc1ccccc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1
BIRTHDAY:
2018-12-02T16:07:25.124341
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C25H30N2O2
SMILES:
CC(C)c1cc(C(=O)Nc2ccccc2OCCCN(C)C)c2cccccc1-2
BIRTHDAY:
2018-12-03T10:43:45.827086
ATC:
C10A
CARDIOVASCULAR SYSTEM
LIPID MODIFYING AGENTS
LIPID MODIFYING AGENTS, PLAIN
Synthesis Plan
FORMULA:
C32H28N4O5
SMILES:
O=C(Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1)c1ccccc1
BIRTHDAY:
2018-12-03T10:43:45.851553
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan
FORMULA:
C21H20N4O5S
SMILES:
COc1ccccc1C(=O)Nc1ccc2c(c1)SOC1=NC(C(=O)N(C)C)=N[C@]12CO
BIRTHDAY:
2018-12-03T10:43:45.883474
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C26H24F3N3O3
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
BIRTHDAY:
2018-12-03T10:43:45.925884
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H18F3N3O3
SMILES:
CC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1
BIRTHDAY:
2018-12-03T10:43:45.948447
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C22H25N3O5S
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C3=CNCCS(=O)(=O)O3)c2)c1
BIRTHDAY:
2018-12-03T10:43:45.969079
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C21H16N2O4
SMILES:
O=C(c1ccccc1O)N1C=NO[C@]1(c1ccccc1)c1cccc(O)c1
BIRTHDAY:
2018-12-03T10:43:45.989442
ATC:
C09A
CARDIOVASCULAR SYSTEM
AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
ACE INHIBITORS, PLAIN
Synthesis Plan
FORMULA:
C28H20F3N3O4
SMILES:
O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1O
BIRTHDAY:
2018-12-03T10:43:46.004039
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:
C13H18N2O
SMILES:
CC(C)[C@]1(C)CNc2ccccc2NC1=O
BIRTHDAY:
2018-12-03T19:12:11.005618
ATC:
A02B
ALIMENTARY TRACT AND METABOLISM
DRUGS FOR ACID RELATED DISORDERS
DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
Synthesis Plan
FORMULA:
C14H12N2O6
SMILES:
O=C(NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(O)cc1
BIRTHDAY:
2018-12-03T19:12:11.024688
ATC:
N02B
NERVOUS SYSTEM
ANALGESICS
OTHER ANALGESICS AND ANTIPYRETICS
Synthesis Plan
FORMULA:
C23H31NO3
SMILES:
CC1=C(C(=O)NCc2ccc(OC(=O)C(C)(C)C)cc2)C(C)=C(C(C)C)C1
BIRTHDAY:
2018-12-03T19:12:11.032398
ATC:
M05B
MUSCULO-SKELETAL SYSTEM
DRUGS FOR TREATMENT OF BONE DISEASES
DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Synthesis Plan
FORMULA:
C29H31N3O5
SMILES:
CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc3c2OCCOCC3)c1
BIRTHDAY:
2018-12-03T19:12:11.052791
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C23H18F3N3O3
SMILES:
CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1
BIRTHDAY:
2018-12-01T22:31:17.067005
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C17H15N5O4
SMILES:
COc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC=CCO2
BIRTHDAY:
2018-12-01T22:31:17.117734
ATC:
L02B
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ENDOCRINE THERAPY
HORMONE ANTAGONISTS AND RELATED AGENTS
Synthesis Plan
FORMULA:
C28H20F3N3O4
SMILES:
O=C(Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1)c1cccc(O)c1
BIRTHDAY:
2018-12-01T22:31:17.185575
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C28H20F3N3O4
SMILES:
O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(O)c1
BIRTHDAY:
2018-12-01T22:31:17.199997
ATC:
L01X
ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
ANTINEOPLASTIC AGENTS
OTHER ANTINEOPLASTIC AGENTS
Synthesis Plan
FORMULA:
C14H11NO4S
SMILES:
O=C1CSOc2ccc(O)cc2N1c1ccc(O)cc1
BIRTHDAY:
2018-12-01T22:31:17.208134
ATC:
D01A
DERMATOLOGICALS
ANTIFUNGALS FOR DERMATOLOGICAL USE
ANTIFUNGALS FOR TOPICAL USE
Synthesis Plan