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9DL

9DL
Name:	5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide
Formula:	C14 H21 N3 O3
SMILES:	O=C(Nc1ccccc1)CN(C)CCCCC(=O)NO
InChi:	InChI=1S/C14H21N3O3/c1-17(10-6-5-9-13(18)16-20)11-14(19)15-12-7-3-2-4-8-12/h2-4,7-8,20H,5-6,9-11H2,1H3,(H,15,19)(H,16,18)
Definition date:	2021-10-06
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide

9VI

9VI
Name:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide
Formula:	C34 H27 Cl F5 N9 O4 S
SMILES:	CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2cccnc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c2C=CCCc21)C(F)(F)F
InChi:	InChI=1S/C34H27ClF5N9O4S/c1-47-28-25(10-9-22(35)27(28)31(45-47)46-54(2,52)53)49-32(43-30-21(33(49)51)7-5-11-41-30)23(14-17-12-18(36)15-19(37)13-17)42-26(50)16-48-24-8-4-3-6-20(24)29(44-48)34(38,39)40/h3,5-7,9-13,15,23H,4,8,14,16H2,1-2H3,(H,42,50)(H,45,46)/t23-/m0/s1
Definition date:	2021-10-29
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-1H-indazol-1-yl]acetamide

9WW

9WW
Name:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide
Formula:	C34 H27 Cl F4 N8 O4 S
SMILES:	CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F
InChi:	InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1
Definition date:	2021-10-29
Last modified:	2022-09-30
Release date:	2022-10-05
Identifier:	N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide

72Q

72Q
Name:	3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
Formula:	C17 H12 F3 N O4 S
SMILES:	N#Cc1cc(cc(c1)F)Oc2ccc(c3c2C(F)C(C3O)F)S(C)(=O)=O
InChi:	InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16-,17+/m1/s1
Synonyms:	Belzutifan
Definition date:	2016-08-17
Last modified:	2022-09-28
Release date:	2016-08-31
Identifier:	3-{[(1S,2S,3R)-2,3-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile

94M

94M
Name:	6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
Formula:	C14 H15 Cl N6 O
SMILES:	Clc3nc(nc1c3ncn1Cc2ncc(c(OC)c2C)C)N
InChi:	InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
Synonyms:	BIIB021
Definition date:	2010-07-30
Last modified:	2022-09-28
Identifier:	6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine

1IX

1IX
Name:	(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
Formula:	C24 H21 Cl F N5 O3
SMILES:	COc1ccc(nn1)[CH](O)c2cc(c(F)cc2Cl)c3ncnc4cc(ccc34)N5CCOCC5
InChi:	InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1
Synonyms:	Nedisertib
Definition date:	2021-06-11
Last modified:	2022-09-28
Release date:	2022-01-12
Identifier:	(~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol

7LD

7LD
Name:	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide
Formula:	C20 H25 N3 O
SMILES:	n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C
InChi:	InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
Synonyms:	Lysergic acid diethylamide
Definition date:	2016-11-10
Last modified:	2022-09-27
Release date:	2017-02-01
Identifier:	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide

92S

92S
Name:	1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
Formula:	C24 H28 F N3 O
SMILES:	CN1CCN2[CH]3CCN(CCCC(=O)c4ccc(F)cc4)C[CH]3c5cccc1c25
InChi:	InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1
Synonyms:	lumateperone
Definition date:	2022-01-01
Last modified:	2022-09-27
Release date:	2022-01-26
Identifier:	1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one

IMH

IMH
Name:	1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL
Formula:	C11 H14 N4 O4
SMILES:	OC1C(NC(CO)C1O)c1c[NH]c2c1N=CNC2=O
InChi:	InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
Synonyms:	Forodesine
Definition date:	1999-07-08
Last modified:	2022-09-26
Identifier:	7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

W58

W58
Name:	5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine
Formula:	C13 H15 N
SMILES:	C1CC=C(CN1)c2ccc3CCc3c2
InChi:	InChI=1S/C13H15N/c1-2-13(9-14-7-1)12-6-4-10-3-5-11(10)8-12/h2,4,6,8,14H,1,3,5,7,9H2
Definition date:	2021-12-09
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine

UA6

UA6
Name:	2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide
Formula:	C23 H15 F6 N3 O
SMILES:	FC(F)(F)c1ccc(CC(=O)N(CC#Cc2cccnn2)c2ccccc2)c(c1)C(F)(F)F
InChi:	InChI=1S/C23H15F6N3O/c24-22(25,26)17-11-10-16(20(15-17)23(27,28)29)14-21(33)32(19-8-2-1-3-9-19)13-5-7-18-6-4-12-30-31-18/h1-4,6,8-12,15H,13-14H2
Definition date:	2022-08-15
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide

LQ6

LQ6
Name:	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C21 H19 Cl2 N5 O4 S
SMILES:	Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4
InChi:	InChI=1S/C21H19Cl2N5O4S/c22-14-4-3-12(8-15(14)23)28-6-5-27(20(31)16-9-18(29)26-21(32)25-16)11-17(28)19(30)24-10-13-2-1-7-33-13/h1-4,7-9,17H,5-6,10-11H2,(H,24,30)(H2,25,26,29,32)/t17-/m0/s1
Definition date:	2022-07-07
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

UAF

UAF
Name:	N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide
Formula:	C16 H14 F3 N3 S
SMILES:	FC(F)(F)C1=C2C=CC=C2NN1CC(=S)N(C)c1ccccc1
InChi:	InChI=1S/C16H14F3N3S/c1-21(11-6-3-2-4-7-11)14(23)10-22-15(16(17,18)19)12-8-5-9-13(12)20-22/h2-9,20H,10H2,1H3
Definition date:	2022-08-15
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	N-methyl-N-phenyl[(3aM)-3-(trifluoromethyl)cyclopenta[c]pyrazol-2(1H)-yl]ethanethioamide

Z9A

Z9A
Name:	methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate
Formula:	C18 H24 Br N3 O5
SMILES:	Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1
InChi:	InChI=1S/C18H24BrN3O5/c1-11(18(26)27-2)21-17(25)14(10-15(20)23)22-16(24)5-3-4-12-6-8-13(19)9-7-12/h6-9,11,14H,3-5,10H2,1-2H3,(H2,20,23)(H,21,25)(H,22,24)/t11-,14+/m0/s1
Definition date:	2021-04-13
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate

Z9G

Z9G
Name:	N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine
Formula:	C14 H17 Br N2 O4
SMILES:	Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)cc1
InChi:	InChI=1S/C14H17BrN2O4/c15-10-6-4-9(5-7-10)2-1-3-13(19)17-11(14(20)21)8-12(16)18/h4-7,11H,1-3,8H2,(H2,16,18)(H,17,19)(H,20,21)/t11-/m1/s1
Definition date:	2021-04-13
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine

LQL

LQL
Name:	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
Formula:	C22 H20 Cl2 N4 O2 S
SMILES:	Clc1ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=O)c4cccnc4
InChi:	InChI=1S/C22H20Cl2N4O2S/c23-18-6-5-16(11-19(18)24)28-9-8-27(22(30)15-3-1-7-25-12-15)14-20(28)21(29)26-13-17-4-2-10-31-17/h1-7,10-12,20H,8-9,13-14H2,(H,26,29)/t20-/m0/s1
Definition date:	2022-07-07
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide

WIR

WIR
Name:	(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol
Formula:	C22 H26 N8 O
SMILES:	CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC1c2ccccc2CC1O
InChi:	InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1
Definition date:	2022-09-13
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol

NYI

NYI
Name:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one
Formula:	C11 H10 N2 O2
SMILES:	C=CC(=O)N1CC(=O)Nc2ccccc12
InChi:	InChI=1S/C11H10N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h2-6H,1,7H2,(H,12,14)
Definition date:	2022-08-24
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one

QH7

QH7
Name:	2,3,6-trifluoro-N-hydroxybenzamide
Formula:	C7 H4 F3 N O2
SMILES:	Fc1c(C(=O)NO)c(F)ccc1F
InChi:	InChI=1S/C7H4F3NO2/c8-3-1-2-4(9)6(10)5(3)7(12)11-13/h1-2,13H,(H,11,12)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,6-trifluoro-N-hydroxybenzamide

QHO

QHO
Name:	2,3,5-trifluoro-N-hydroxybenzamide
Formula:	C7 H4 F3 N O2
SMILES:	Fc1c(cc(F)cc1F)C(=O)NO
InChi:	InChI=1S/C7H4F3NO2/c8-3-1-4(7(12)11-13)6(10)5(9)2-3/h1-2,13H,(H,11,12)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,5-trifluoro-N-hydroxybenzamide

QHX

QHX
Name:	3,5-difluoro-N-hydroxybenzamide
Formula:	C7 H5 F2 N O2
SMILES:	Fc1cc(cc(F)c1)C(=O)NO
InChi:	InChI=1S/C7H5F2NO2/c8-5-1-4(7(11)10-12)2-6(9)3-5/h1-3,12H,(H,10,11)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	3,5-difluoro-N-hydroxybenzamide

QI5

QI5
Name:	2,3,4,5,6-pentafluoro-N-hydroxybenzamide
Formula:	C7 H2 F5 N O2
SMILES:	Fc1c(c(F)c(F)c(F)c1F)C(=O)NO
InChi:	InChI=1S/C7H2F5NO2/c8-2-1(7(14)13-15)3(9)5(11)6(12)4(2)10/h15H,(H,13,14)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,4,5,6-pentafluoro-N-hydroxybenzamide

QI8

QI8
Name:	2,3,5,6-tetrafluoro-N-hydroxybenzamide
Formula:	C7 H3 F4 N O2
SMILES:	Fc1c(C(=O)NO)c(F)c(F)cc1F
InChi:	InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)
Definition date:	2022-06-10
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	2,3,5,6-tetrafluoro-N-hydroxybenzamide

KFC

KFC
Name:	~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide
Formula:	C22 H23 N3 O
SMILES:	Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4
InChi:	InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)
Definition date:	2022-05-25
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide

JRP

JRP
Name:	(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one
Formula:	C13 H13 N O2
SMILES:	O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14
InChi:	InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1
Synonyms:	(3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one
Definition date:	2022-05-09
Last modified:	2022-09-23
Release date:	2022-09-28
Identifier:	(1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one

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226262

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