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R0P

R0P
Name:	1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one
Formula:	C21 H23 N5 O3 S
SMILES:	C(N3C(N(C1CC1)c2c3cncc2)=O)c5cc4cnccc4n5CCCS(C)(=O)=O
InChi:	InChI=1S/C21H23N5O3S/c1-30(28,29)10-2-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)27)16-3-4-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3
Definition date:	2020-01-21
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one

R0S

R0S
Name:	4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile
Formula:	C27 H24 Cl N5 O3
SMILES:	COc5c(ccc(N4C(N(Cc2cc1c(ccc(Cl)c1)n2CCCC#N)c3cnccc34)=O)c5)OC
InChi:	InChI=1S/C27H24ClN5O3/c1-35-25-8-6-20(15-26(25)36-2)33-23-9-11-30-16-24(23)32(27(33)34)17-21-14-18-13-19(28)5-7-22(18)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3
Definition date:	2020-01-21
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile

NQP

NQP
Name:	4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Formula:	C31 H42 N6 O4
SMILES:	[C@H](=C)CCN5c3ccc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CCOCC4)C(C5=O)C
InChi:	InChI=1S/C31H42N6O4/c1-5-6-15-36-26-9-10-28(34-29(26)37(21(2)31(36)39)24-13-18-41-19-14-24)33-25-8-7-22(20-27(25)40-4)30(38)32-23-11-16-35(3)17-12-23/h5,7-10,20-21,23-24H,1,6,11-19H2,2-4H3,(H,32,38)(H,33,34)/t21-/m1/s1
Definition date:	2019-05-24
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

NQV

NQV
Name:	4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
Formula:	C30 H42 N6 O3
SMILES:	c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O
InChi:	InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1
Definition date:	2019-05-24
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide

NQY

NQY
Name:	3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
Formula:	C26 H34 N6 O3
SMILES:	c2c1N(C(=O)C5CCCCN5c1nc(c2)Nc4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C
InChi:	InChI=1S/C26H34N6O3/c1-30-14-11-18(12-15-30)27-25(33)17-7-8-19(22(16-17)35-3)28-23-10-9-20-24(29-23)32-13-5-4-6-21(32)26(34)31(20)2/h7-10,16,18,21H,4-6,11-15H2,1-3H3,(H,27,33)(H,28,29)/t21-/m1/s1
Definition date:	2019-05-24
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide

Q5Z

Q5Z
Name:	4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
Formula:	C26 H30 N2 O3
SMILES:	COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4
InChi:	InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3
Definition date:	2020-05-19
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine

017

017
Name:	(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE
Formula:	C27 H37 N3 O7 S
SMILES:	O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4
InChi:	InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
Synonyms:	Darunavir
Definition date:	2004-01-27
Last modified:	2020-05-22
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

032

032
Name:	N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide
Formula:	C23 H18 Cl F2 N3 O3 S
SMILES:	O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4ccc(Cl)cc4)CCC
InChi:	InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
Synonyms:	Vemurafenib
Definition date:	2010-08-17
Last modified:	2020-05-22
Identifier:	N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide

UGD

UGD
Name:	N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
Formula:	C15 H14 N4 O3
SMILES:	n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O
InChi:	InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide

UGG

UGG
Name:	2-(isoquinolin-4-yl)-N-phenylacetamide
Formula:	C17 H14 N2 O
SMILES:	N(c1ccccc1)C(=O)Cc2c3c(cnc2)cccc3
InChi:	InChI=1S/C17H14N2O/c20-17(19-15-7-2-1-3-8-15)10-14-12-18-11-13-6-4-5-9-16(13)14/h1-9,11-12H,10H2,(H,19,20)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(isoquinolin-4-yl)-N-phenylacetamide

UGM

UGM
Name:	2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide
Formula:	C13 H10 N4 O
SMILES:	N#Cc1cncc(c1)CC(=O)Nc2cccnc2
InChi:	InChI=1S/C13H10N4O/c14-6-11-4-10(7-16-8-11)5-13(18)17-12-2-1-3-15-9-12/h1-4,7-9H,5H2,(H,17,18)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide

UGP

UGP
Name:	2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C15 H13 N3 O
SMILES:	N(C(Cc1cccc(C#N)c1)=O)c2cnccc2C
InChi:	InChI=1S/C15H13N3O/c1-11-5-6-17-10-14(11)18-15(19)8-12-3-2-4-13(7-12)9-16/h2-7,10H,8H2,1H3,(H,18,19)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide

UGS

UGS
Name:	N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
Formula:	C18 H16 N2 O2
SMILES:	N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC
InChi:	InChI=1S/C18H16N2O2/c1-22-16-8-9-19-17(12-16)20-18(21)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-10,12H,11H2,1H3,(H,19,20,21)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide

UH1

UH1
Name:	2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide
Formula:	C14 H11 N3 O
SMILES:	N(C(Cc1cc(ccc1)C#N)=O)c2cccnc2
InChi:	InChI=1S/C14H11N3O/c15-9-12-4-1-3-11(7-12)8-14(18)17-13-5-2-6-16-10-13/h1-7,10H,8H2,(H,17,18)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide

UH4

UH4
Name:	N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
Formula:	C11 H11 N3 O S
SMILES:	N(C(Nc1ccc(s1)C)=O)c2cccnc2
InChi:	InChI=1S/C11H11N3OS/c1-8-4-5-10(16-8)14-11(15)13-9-3-2-6-12-7-9/h2-7H,1H3,(H2,13,14,15)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea

UH7

UH7
Name:	2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Cl N2 O
SMILES:	N(C(Cc1cccc(c1)Cl)=O)c2cnccc2C
InChi:	InChI=1S/C14H13ClN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide

UHA

UHA
Name:	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H15 Cl N2 O
SMILES:	n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O
InChi:	InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide

UHG

UHG
Name:	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
Formula:	C15 H12 Cl N O2
SMILES:	c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=O
InChi:	InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid

UHM

UHM
Name:	2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide
Formula:	C13 H11 N3 O2 S
SMILES:	n2scc(CNC(c1c(OCC#N)cccc1)=O)c2
InChi:	InChI=1S/C13H11N3O2S/c14-5-6-18-12-4-2-1-3-11(12)13(17)15-7-10-8-16-19-9-10/h1-4,8-9H,6-7H2,(H,15,17)
Definition date:	2020-05-18
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide

D2L

D2L
Name:	[(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
Formula:	C26 H51 N O4 S
SMILES:	CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O
InChi:	InChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1
Definition date:	2019-06-05
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	[(3~{R},6~{R})-6-methyloctan-3-yl] 2-[(2~{S},4~{S},6~{R})-2-[(2~{S})-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate

NWG

NWG
Name:	5-[(diaminomethylidene)amino]-2-oxopentanoic acid
Formula:	C6 H11 N3 O3
SMILES:	C(=O)(C(O)=O)CCCN=C(/N)N
InChi:	InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
Definition date:	2019-05-29
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	5-[(diaminomethylidene)amino]-2-oxopentanoic acid

NZY

NZY
Name:	N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
Formula:	C14 H25 N O10
SMILES:	C(OCC1C(C(C(CO1)NC(=O)C)O)O)C2(C(C(O)C(CO)O2)O)O
InChi:	InChI=1S/C14H25NO10/c1-6(17)15-7-3-24-9(11(19)10(7)18)4-23-5-14(22)13(21)12(20)8(2-16)25-14/h7-13,16,18-22H,2-5H2,1H3,(H,15,17)/t7-,8+,9+,10+,11+,12+,13-,14-/m0/s1
Definition date:	2019-05-30
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

O2K

O2K
Name:	~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide
Formula:	C29 H30 N4 O5
SMILES:	CCC(=O)NCc1cc(C)cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)c1
InChi:	InChI=1S/C29H30N4O5/c1-5-28(34)32-16-19-10-18(2)11-20(12-19)33-29(35)15-25-27(37-4)14-22(17-31-25)38-26-8-9-30-24-13-21(36-3)6-7-23(24)26/h6-14,17H,5,15-16H2,1-4H3,(H,32,34)(H,33,35)
Definition date:	2020-01-21
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide

O35

O35
Name:	~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Formula:	C28 H30 N4 O4
SMILES:	COc1ccc2c(Oc3cnc(CC(=O)Nc4cc(C)cc(CN(C)C)c4)c(OC)c3)ccnc2c1
InChi:	InChI=1S/C28H30N4O4/c1-18-10-19(17-32(2)3)12-20(11-18)31-28(33)15-25-27(35-5)14-22(16-30-25)36-26-8-9-29-24-13-21(34-4)6-7-23(24)26/h6-14,16H,15,17H2,1-5H3,(H,31,33)
Definition date:	2020-01-21
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide

O3E

O3E
Name:	~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide
Formula:	C31 H28 N4 O5
SMILES:	COc1ccc2c(Oc3cnc(CC(=O)Nc4ccc5N=C(OC(C)(C)c5c4)C#CC)c(OC)c3)ccnc2c1
InChi:	InChI=1S/C31H28N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,17H2,1-5H3,(H,34,36)
Definition date:	2020-01-22
Last modified:	2020-05-22
Release date:	2020-05-27
Identifier:	~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide

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