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K9F

K9F
Name:	5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
Formula:	C20 H18 N4
SMILES:	Cn1cc(nc1CCc1cccc2nccnc12)c1ccccc1
InChi:	InChI=1S/C20H18N4/c1-24-14-18(15-6-3-2-4-7-15)23-19(24)11-10-16-8-5-9-17-20(16)22-13-12-21-17/h2-9,12-14H,10-11H2,1H3
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline

K9O

K9O
Name:	4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
Formula:	C21 H20 Cl N5 O
SMILES:	Clc1cnn(CC(C)C)c1C(=O)Nc1ccc2nc([NH]c2c1)c1ccccc1
InChi:	InChI=1S/C21H20ClN5O/c1-13(2)12-27-19(16(22)11-23-27)21(28)24-15-8-9-17-18(10-15)26-20(25-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,24,28)(H,25,26)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide

K9X

K9X
Name:	4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:	C18 H15 Br N6 O
SMILES:	Brc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C
InChi:	InChI=1S/C18H15BrN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26)
Definition date:	2022-02-03
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide

86W

86W
Name:	1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione
Formula:	C19 H16 F3 N3 O3
SMILES:	CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3C(F)(F)F)cc2C)C
InChi:	InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
Synonyms:	Tavapadon
Definition date:	2022-03-03
Last modified:	2022-10-06
Release date:	2022-06-15
Identifier:	1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione

Z80

Z80
Name:	3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Formula:	C17 H19 Cl N2 S
SMILES:	CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
InChi:	InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
Synonyms:	Chlorpromazine
Definition date:	2010-02-24
Last modified:	2022-10-05
Identifier:	3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine

33E

33E
Name:	4-iodo-3-nitrobenzamide
Formula:	C7 H5 I N2 O3
SMILES:	Ic1ccc(cc1[N+](=O)[O-])C(=O)N
InChi:	InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
Synonyms:	Iniparib
Definition date:	2014-06-06
Last modified:	2022-10-05
Release date:	2014-10-15
Identifier:	4-iodo-3-nitrobenzamide

IRM

IRM
Name:	1,2-Dihydro-psi,psi-caroten-1-ol
Formula:	C40 H58 O
SMILES:	CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O
InChi:	InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
Synonyms:	Rhodopin
Definition date:	2022-04-07
Last modified:	2022-10-05
Release date:	2022-10-05
Identifier:	(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol

9B0

9B0
Name:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate
Formula:	C40 H66 N2 O9
SMILES:	CC[CH](O)[CH](C)[CH]1O[CH]1C[C](C)(O)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(=O)N3CCN(CC3)C4CCCCCC4)C=C[CH]2C
InChi:	InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1
Definition date:	2018-03-01
Last modified:	2022-10-04
Release date:	2018-03-21
Identifier:	[(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate

2KW

2KW
Name:	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile
Formula:	C17 H11 Cl F3 N5 O3
SMILES:	FC(F)(F)C2=C(Oc1cc(C#N)cc(Cl)c1)C(=O)N(C=C2)CC3=NNC(=O)N3C
InChi:	InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)
Synonyms:	Doravirine
Definition date:	2013-11-21
Last modified:	2022-10-03
Release date:	2014-02-12
Identifier:	3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile

WIU

WIU
Name:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate
Formula:	C24 H32 N10 O2
SMILES:	CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)NCCN)c1ccccc1
InChi:	InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate

MF6

MF6
Name:	(1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione
Formula:	C15 H21 N5 O13 P2
SMILES:	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC1C2O)C(O)C3O
InChi:	InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11-9(22)6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)10(23)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Synonyms:	1'-2' gcADPR
Definition date:	2022-03-16
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione

PUI

PUI
Name:	4-methyl-1,5-naphthyridin-2-amine
Formula:	C9 H9 N3
SMILES:	Cc1cc(N)nc2cccnc12
InChi:	InChI=1S/C9H9N3/c1-6-5-8(10)12-7-3-2-4-11-9(6)7/h2-5H,1H3,(H2,10,12)
Definition date:	2022-05-29
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	4-methyl-1,5-naphthyridin-2-amine

PWL

PWL
Name:	6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine
Formula:	C7 H6 Br N3
SMILES:	Brc1cc2[NH]ccc2nc1N
InChi:	InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11)
Definition date:	2022-05-31
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine

PWX

PWX
Name:	7-chloro-1-methyl-1H-benzimidazol-2-amine
Formula:	C8 H8 Cl N3
SMILES:	Clc1cccc2nc(N)n(C)c12
InChi:	InChI=1S/C8H8ClN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
Definition date:	2022-05-31
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	7-chloro-1-methyl-1H-benzimidazol-2-amine

ZE0

ZE0
Name:	(3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
Formula:	C40 H56 O
SMILES:	OC(C)(C)CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC=C(C)C)C)C)C)C)C)C
InChi:	InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-17,19-30,41H,18,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
Definition date:	2012-12-18
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol

NUN

NUN
Name:	1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
Formula:	C18 H18 N2 O S
SMILES:	CC(C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1
InChi:	InChI=1S/C18H18N2OS/c1-18(2,3)15(21)11-22-17-19-10-13-9-8-12-6-4-5-7-14(12)16(13)20-17/h4-10H,11H2,1-3H3
Definition date:	2022-04-08
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one

NUU

NUU
Name:	1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
Formula:	C17 H19 N3 O S
SMILES:	CC(C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1
InChi:	InChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3
Definition date:	2022-04-08
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one

NV3

NV3
Name:	1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
Formula:	C18 H17 Cl N2 O S
SMILES:	CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn1
InChi:	InChI=1S/C18H17ClN2OS/c1-18(2,3)15(22)10-23-17-20-9-12-5-4-11-6-7-13(19)8-14(11)16(12)21-17/h4-9H,10H2,1-3H3
Definition date:	2022-04-11
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one

NVF

NVF
Name:	1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
Formula:	C16 H18 N2 O S2
SMILES:	CC(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1
InChi:	InChI=1S/C16H18N2OS2/c1-16(2,3)13(19)9-21-15-17-8-10-4-5-12-11(6-7-20-12)14(10)18-15/h6-8H,4-5,9H2,1-3H3
Definition date:	2022-04-11
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one

L4O

L4O
Name:	tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Formula:	C10 H18 N2 O2
SMILES:	CC(C)(C)OC(=O)N1CC2CC1CN2
InChi:	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

L4X

L4X
Name:	Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide
Formula:	C31 H36 N4 O3
SMILES:	CNC(=O)C(Cc1ccc(C)cc1)NC(=O)C(C/C=C/c1ccccc1)NC(=O)CNCc1ccccc1
InChi:	InChI=1S/C31H36N4O3/c1-23-16-18-25(19-17-23)20-28(30(37)32-2)35-31(38)27(15-9-14-24-10-5-3-6-11-24)34-29(36)22-33-21-26-12-7-4-8-13-26/h3-14,16-19,27-28,33H,15,20-22H2,1-2H3,(H,32,37)(H,34,36)(H,35,38)/b14-9+/t27-,28+/m1/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide

L5X

L5X
Name:	3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol
Formula:	C10 H12 N2 O S
SMILES:	CC1CN=C(Nc2cc(O)ccc2)S1
InChi:	InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol

L6A

L6A
Name:	4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide
Formula:	C16 H14 N4 O2
SMILES:	NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3
InChi:	InChI=1S/C16H14N4O2/c17-15-13-5-12(16(18)22)11(6-14(13)19-8-20-15)10-3-1-2-9(4-10)7-21/h1-6,8,21H,7H2,(H2,18,22)(H2,17,19,20)
Definition date:	2022-06-20
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide

L6F

L6F
Name:	(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:	C15 H16 N2
SMILES:	Nc1cccc2c1CCNC2c1ccccc1
InChi:	InChI=1S/C15H16N2/c16-14-8-4-7-13-12(14)9-10-17-15(13)11-5-2-1-3-6-11/h1-8,15,17H,9-10,16H2/t15-/m1/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine

L6O

L6O
Name:	(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
Formula:	C10 H11 F N2 S
SMILES:	CC1CN=C(Nc2ccc(F)cc2)S1
InChi:	InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
Definition date:	2022-02-28
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	(5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

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