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H0H

H0H
Name:	~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
Formula:	C21 H18 N4 O2
SMILES:	Cn1cc(NC(=O)C2=CN(Cc3ccccc3)C(=O)c4ccccc24)cn1
InChi:	InChI=1S/C21H18N4O2/c1-24-13-16(11-22-24)23-20(26)19-14-25(12-15-7-3-2-4-8-15)21(27)18-10-6-5-9-17(18)19/h2-11,13-14H,12H2,1H3,(H,23,26)
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide

H0N

H0N
Name:	5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
Formula:	C24 H22 Cl2 N6 O2
SMILES:	Clc1ccc(CN2C=C(C(=O)Nc3ccncc3)c4n(ncc4C2=O)C5CCNCC5)cc1Cl
InChi:	InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33)
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide

H0Q

H0Q
Name:	2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Formula:	C21 H17 Cl N4 O2
SMILES:	Cn1cc(NC(=O)C2=CN(Cc3cccc(Cl)c3)C(=O)c4ccccc24)cn1
InChi:	InChI=1S/C21H17ClN4O2/c1-25-12-16(10-23-25)24-20(27)19-13-26(11-14-5-4-6-15(22)9-14)21(28)18-8-3-2-7-17(18)19/h2-10,12-13H,11H2,1H3,(H,24,27)
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[(3-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

FT7

FT7
Name:	1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide
Formula:	C27 H26 F2 N2 O
SMILES:	CCC(c1ccccc1)NC(=O)c2ccc4c(c2)c(c(C)n4Cc3c(F)cc(cc3)F)C
InChi:	InChI=1S/C27H26F2N2O/c1-4-25(19-8-6-5-7-9-19)30-27(32)20-11-13-26-23(14-20)17(2)18(3)31(26)16-21-10-12-22(28)15-24(21)29/h5-15,25H,4,16H2,1-3H3,(H,30,32)/t25-/m1/s1
Definition date:	2018-04-16
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide

BXE

BXE
Name:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
Formula:	C4 H9 N6 O
SMILES:	[NH3+]NC(=O)CCc1n[nH]nn1
InChi:	InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium

HHZ

HHZ
Name:	[[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C18 H26 N5 O15 P3
SMILES:	Nc1ncnc2n(cc(C#CCNC(=O)COCCO)c12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:	InChI=1S/C18H26N5O15P3/c19-17-16-11(2-1-3-20-14(26)9-34-5-4-24)7-23(18(16)22-10-21-17)15-6-12(25)13(36-15)8-35-40(30,31)38-41(32,33)37-39(27,28)29/h7,10,12-13,15,24-25H,3-6,8-9H2,(H,20,26)(H,30,31)(H,32,33)(H2,19,21,22)(H2,27,28,29)/t12-,13+,15+/m0/s1
Definition date:	2018-12-07
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	[[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[3-[2-(2-hydroxyethyloxy)ethanoylamino]prop-1-ynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

L9Y

L9Y
Name:	4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid
Formula:	C22 H28 Cl2 O4
SMILES:	CCCCC1(C(c2c(C1)cc(c(c2Cl)Cl)OCCCC(=O)O)=O)C3CCCC3
InChi:	InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)/t22-/m0/s1
Definition date:	2019-02-15
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid

B2U

B2U
Name:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
Formula:	C20 H18 Cl N O6
SMILES:	c1ccccc1CC(C(O)=O)NC(=O)c3cc(Cl)c2CC(C)OC(c2c3O)=O
InChi:	InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1
Definition date:	2019-01-09
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine

MQ0

MQ0
Name:	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
Formula:	C24 H20 N4
SMILES:	N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)
Definition date:	1999-07-28
Last modified:	2019-02-18
Identifier:	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile

XD4

XD4
Name:	[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate
Formula:	C18 H25 N O2
SMILES:	Cc1cc(ccc1N)C(=O)O[CH]2C[CH]3CC[C]2(C)C3(C)C
InChi:	InChI=1S/C18H25NO2/c1-11-9-12(5-6-14(11)19)16(20)21-15-10-13-7-8-18(15,4)17(13,2)3/h5-6,9,13,15H,7-8,10,19H2,1-4H3/t13-,15-,18+/m1/s1
Definition date:	2017-08-10
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[(1~{R},2~{R},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-azanyl-3-methyl-benzoate

XD5

XD5
Name:	[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
Formula:	C14 H17 N O2
SMILES:	Nc1ccc(cc1)C(=O)O[CH]2C[CH]3CC[CH]2C3
InChi:	InChI=1S/C14H17NO2/c15-12-5-3-10(4-6-12)14(16)17-13-8-9-1-2-11(13)7-9/h3-6,9,11,13H,1-2,7-8,15H2/t9-,11+,13-/m0/s1
Definition date:	2017-08-10
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate

F3E

F3E
Name:	4-phenylpyrimidin-2-amine
Formula:	C10 H9 N3
SMILES:	Nc1nccc(n1)c2ccccc2
InChi:	InChI=1S/C10H9N3/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
Definition date:	2018-05-24
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	4-phenylpyrimidin-2-amine

HQB

HQB
Name:	~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Formula:	C12 H9 N5 O2
SMILES:	CNc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O
InChi:	InChI=1S/C12H9N5O2/c1-13-12-15-6-8-4-7-5-14-3-2-9(7)11(17(18)19)10(8)16-12/h2-6H,1H3,(H,13,15,16)
Definition date:	2018-12-16
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine

G5B

G5B
Name:	(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Formula:	C20 H29 Cl2 N O3
SMILES:	CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12
InChi:	InChI=1S/C20H29Cl2NO3/c1-10-5-6-15-19(2,3)17(22)13(21)9-20(15,4)12(10)8-14(24)11-7-16(25)23-18(11)26/h11-15,17,24H,1,5-9H2,2-4H3,(H,23,25,26)/t11-,12+,13+,14+,15+,17-,20-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

G5W

G5W
Name:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
Formula:	C15 H17 N3 O3 S
SMILES:	COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O
InChi:	InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

G5Z

G5Z
Name:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
Formula:	C13 H14 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C)=O
InChi:	InChI=1S/C13H14N4O2S/c1-7(14)12(19)17-13-16-10(8(2)18)11(20-13)9-4-3-5-15-6-9/h3-7H,14H2,1-2H3,(H,16,17,19)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

G6B

G6B
Name:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
Formula:	C14 H16 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H16N4O2S/c1-7(15)13(20)18-14-17-11(8(2)19)12(21-14)9-4-3-5-10(16)6-9/h3-7H,15-16H2,1-2H3,(H,17,18,20)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide

G6E

G6E
Name:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide
Formula:	C13 H15 N5 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C13H15N5O2S/c1-6(14)12(20)18-13-17-10(7(2)19)11(21-13)8-3-9(15)5-16-4-8/h3-6H,14-15H2,1-2H3,(H,17,18,20)/t6-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide

G6Z

G6Z
Name:	1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
Formula:	C15 H17 N5 O2 S
SMILES:	CC(=O)c1nc(NC(=O)C2(N)CCC2)sc1c3cncc(N)c3
InChi:	InChI=1S/C15H17N5O2S/c1-8(21)11-12(9-5-10(16)7-18-6-9)23-14(19-11)20-13(22)15(17)3-2-4-15/h5-7H,2-4,16-17H2,1H3,(H,19,20,22)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide

G7B

G7B
Name:	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
Formula:	C9 H13 N3 O2 S
SMILES:	CC(=O)c1csc(NC(=O)C(C)(C)N)n1
InChi:	InChI=1S/C9H13N3O2S/c1-5(13)6-4-15-8(11-6)12-7(14)9(2,3)10/h4H,10H2,1-3H3,(H,11,12,14)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide

G7E

G7E
Name:	~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C21 H25 N5 O4 S
SMILES:	CC(=O)c1nc(NC(=O)C2CNCCN2)sc1c3ccc(cc3)C(=O)N4CCOCC4
InChi:	InChI=1S/C21H25N5O4S/c1-13(27)17-18(31-21(24-17)25-19(28)16-12-22-6-7-23-16)14-2-4-15(5-3-14)20(29)26-8-10-30-11-9-26/h2-5,16,22-23H,6-12H2,1H3,(H,24,25,28)
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide

G7H

G7H
Name:	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide
Formula:	C20 H23 N5 O3 S
SMILES:	CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O
InChi:	InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide

G7N

G7N
Name:	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
Formula:	C14 H17 N7 O2 S
SMILES:	C[CH](NC(N)=N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H17N7O2S/c1-6(19-13(16)17)12(23)21-14-20-10(7(2)22)11(24-14)8-3-9(15)5-18-4-8/h3-6H,15H2,1-2H3,(H4,16,17,19)(H,20,21,23)/t6-/m1/s1
Definition date:	2018-08-30
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide

G7Q

G7Q
Name:	(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
Formula:	C18 H26 F2 N4 O2 S
SMILES:	CC(=O)c1csc(NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)n1
InChi:	InChI=1S/C18H26F2N4O2S/c1-12(25)14-11-27-17(22-14)23-16(26)15-10-21-7-9-24(15)8-4-13-2-5-18(19,20)6-3-13/h11,13,15,21H,2-10H2,1H3,(H,22,23,26)/t15-/m1/s1
Definition date:	2018-09-01
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

G8Y

G8Y
Name:	(8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol
Formula:	C29 H28 F N O5
SMILES:	c2c(OCCN1CC(C1)CF)ccc(c2)C6C3=C(CCOc4c3ccc(c4)O)c5ccc(O)cc5O6
InChi:	InChI=1S/C29H28FNO5/c30-15-18-16-31(17-18)10-12-34-22-5-1-19(2-6-22)29-28-24(23-7-3-21(33)14-27(23)36-29)9-11-35-26-13-20(32)4-8-25(26)28/h1-8,13-14,18,29,32-33H,9-12,15-17H2/t29-/m1/s1
Definition date:	2018-05-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol

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