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GO8

GO8
Name:	8-propan-2-ylsulfanyl-7~{H}-purin-6-amine
Formula:	C8 H11 N5 S
SMILES:	CC(C)Sc1[nH]c2c(N)ncnc2n1
InChi:	InChI=1S/C8H11N5S/c1-4(2)14-8-12-5-6(9)10-3-11-7(5)13-8/h3-4H,1-2H3,(H3,9,10,11,12,13)
Definition date:	2018-09-29
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	8-propan-2-ylsulfanyl-7~{H}-purin-6-amine

GOE

GOE
Name:	1-(6-methylpyridin-2-yl)-3-propyl-urea
Formula:	C10 H15 N3 O
SMILES:	CCCNC(=O)Nc1cccc(C)n1
InChi:	InChI=1S/C10H15N3O/c1-3-7-11-10(14)13-9-6-4-5-8(2)12-9/h4-6H,3,7H2,1-2H3,(H2,11,12,13,14)
Definition date:	2018-09-29
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-(6-methylpyridin-2-yl)-3-propyl-urea

GON

GON
Name:	1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
Formula:	C23 H26 N4 O3
SMILES:	NC(=O)C1CCN(CCOc2ccc(c(O)c2)c3[nH]ncc3c4ccccc4)CC1
InChi:	InChI=1S/C23H26N4O3/c24-23(29)17-8-10-27(11-9-17)12-13-30-18-6-7-19(21(28)14-18)22-20(15-25-26-22)16-4-2-1-3-5-16/h1-7,14-15,17,28H,8-13H2,(H2,24,29)(H,25,26)
Definition date:	2018-10-01
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide

JSP

JSP
Name:	(1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
Formula:	C10 H16 N3 O7 P
SMILES:	C1(=CN(C(=O)N=C1N)C)C2CC(C(COP(=O)(O)O)O2)O
InChi:	InChI=1S/C10H16N3O7P/c1-13-3-5(9(11)12-10(13)15)7-2-6(14)8(20-7)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
Definition date:	2018-09-20
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol

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

KUV

KUV
Name:	5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Formula:	C20 H22 F3 N7 O S
SMILES:	n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(C(F)CC4)N)C
InChi:	InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
Definition date:	2019-01-16
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

GUK

GUK
Name:	6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
Formula:	C16 H15 Cl N6
SMILES:	CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3
InChi:	InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)
Definition date:	2018-10-10
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine

GXK

GXK
Name:	6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
Formula:	C17 H15 Cl N6
SMILES:	Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4
InChi:	InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)
Definition date:	2018-10-16
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine

GXN

GXN
Name:	[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate
Formula:	C19 H23 Br N2 O6 S
SMILES:	COc1cc2CN(CCc2cc1O[S](N)(=O)=O)Cc3cc(Br)c(OC)c(OC)c3
InChi:	InChI=1S/C19H23BrN2O6S/c1-25-16-9-14-11-22(5-4-13(14)8-17(16)28-29(21,23)24)10-12-6-15(20)19(27-3)18(7-12)26-2/h6-9H,4-5,10-11H2,1-3H3,(H2,21,23,24)
Definition date:	2018-10-17
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	[2-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-3,4-dihydro-1~{H}-isoquinolin-6-yl] sulfamate

GZK

GZK
Name:	1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C16 H14 Cl2 N4 O3 S
SMILES:	Clc1ccc(CN2C=Nc3n(ncc3C2=O)[CH]4CC[S](=O)(=O)C4)cc1Cl
InChi:	InChI=1S/C16H14Cl2N4O3S/c17-13-2-1-10(5-14(13)18)7-21-9-19-15-12(16(21)23)6-20-22(15)11-3-4-26(24,25)8-11/h1-2,5-6,9,11H,3-4,7-8H2/t11-/m1/s1
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

GZN

GZN
Name:	2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Formula:	C21 H16 Cl2 N4 O2
SMILES:	Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4ccccc24)cn1
InChi:	InChI=1S/C21H16Cl2N4O2/c1-26-11-14(9-24-26)25-20(28)17-12-27(10-13-6-7-18(22)19(23)8-13)21(29)16-5-3-2-4-15(16)17/h2-9,11-12H,10H2,1H3,(H,25,28)
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

GZT

GZT
Name:	1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide
Formula:	C15 H12 F2 N2 O4
SMILES:	CNC(=O)C1=CC=CN(Cc2ccc3OC(F)(F)Oc3c2)C1=O
InChi:	InChI=1S/C15H12F2N2O4/c1-18-13(20)10-3-2-6-19(14(10)21)8-9-4-5-11-12(7-9)23-15(16,17)22-11/h2-7H,8H2,1H3,(H,18,20)
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-~{N}-methyl-2-oxidanylidene-pyridine-3-carboxamide

GZW

GZW
Name:	2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide
Formula:	C25 H24 Cl2 N6 O2
SMILES:	Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cnc(cc24)C5CCNCC5)cn1
InChi:	InChI=1S/C25H24Cl2N6O2/c1-32-13-17(10-30-32)31-24(34)20-14-33(12-15-2-3-21(26)22(27)8-15)25(35)19-11-29-23(9-18(19)20)16-4-6-28-7-5-16/h2-3,8-11,13-14,16,28H,4-7,12H2,1H3,(H,31,34)
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-6-piperidin-4-yl-2,7-naphthyridine-4-carboxamide

H08

H08
Name:	2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Formula:	C21 H17 Cl N4 O2
SMILES:	Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)cc3)C(=O)c4ccccc24)cn1
InChi:	InChI=1S/C21H17ClN4O2/c1-25-12-16(10-23-25)24-20(27)19-13-26(11-14-6-8-15(22)9-7-14)21(28)18-5-3-2-4-17(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-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

H0B

H0B
Name:	6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide
Formula:	C20 H15 Cl2 N5 O2
SMILES:	Cn1cc(NC(=O)C2=CN(Cc3ccc(Cl)c(Cl)c3)C(=O)c4cccnc24)cn1
InChi:	InChI=1S/C20H15Cl2N5O2/c1-26-10-13(8-24-26)25-19(28)15-11-27(9-12-4-5-16(21)17(22)7-12)20(29)14-3-2-6-23-18(14)15/h2-8,10-11H,9H2,1H3,(H,25,28)
Definition date:	2018-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	6-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-5-oxidanylidene-1,6-naphthyridine-8-carboxamide

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

F2K

F2K
Name:	(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Formula:	C14 H9 Cl N4 O3
SMILES:	NC1=C(C#N)[CH](c2ccc(Cl)cc2)C3=C(NC(=O)NC3=O)O1
InChi:	InChI=1S/C14H9ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)/t9-/m0/s1
Definition date:	2018-05-18
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

F7Q

F7Q
Name:	(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
Formula:	C9 H11 N O5
SMILES:	N[CH](CC1(OO)C=CC(=O)C=C1)C(O)=O
InChi:	InChI=1S/C9H11NO5/c10-7(8(12)13)5-9(15-14)3-1-6(11)2-4-9/h1-4,7,14H,5,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2018-06-07
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

862

862
Name:	1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C23 H25 N9 O2
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4ccc(cc4)C(C)=O)c5c(N)ncnc25
InChi:	InChI=1S/C23H25N9O2/c1-3-19(34)30-10-4-5-17(11-30)32-23-20(22(24)25-13-26-23)21(28-32)18-12-31(29-27-18)16-8-6-15(7-9-16)14(2)33/h6-9,12-13,17H,3-5,10-11H2,1-2H3,(H2,24,25,26)/t17-/m1/s1
Definition date:	2018-11-28
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

HVH

HVH
Name:	~{N}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
Formula:	C25 H34 N6 O
SMILES:	CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C5CCC5)n3)ccc2C1
InChi:	InChI=1S/C25H34N6O/c1-31-13-10-19-14-21(9-8-20(19)16-31)29-25-28-15-22(17-6-7-17)23(30-25)26-11-3-12-27-24(32)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,27,32)(H2,26,28,29,30)
Definition date:	2018-12-20
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	~{N}-[3-[[5-cyclopropyl-2-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

9AU

9AU
Name:	4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
Formula:	C24 H30 O3
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)c2ccccc2OC1=O
InChi:	InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
Definition date:	2018-02-26
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one

9FO

9FO
Name:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol
Formula:	C40 H82 O21
SMILES:	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:	InChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2
Definition date:	2018-04-09
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol

9M6

9M6
Name:	2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Formula:	C27 H29 N O3 S
SMILES:	OCC[S](=O)(=O)c1ccc(cc1)c2ccc(C3CCCC3)c(c2)[CH]4C[CH]4c5ccccn5
InChi:	InChI=1S/C27H29NO3S/c29-15-16-32(30,31)22-11-8-19(9-12-22)21-10-13-23(20-5-1-2-6-20)24(17-21)25-18-26(25)27-7-3-4-14-28-27/h3-4,7-14,17,20,25-26,29H,1-2,5-6,15-16,18H2/t25-,26-/m0/s1
Definition date:	2018-06-03
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol

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