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9D6

9D6
Name:	N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
Formula:	C23 H28 N4 O2 S
SMILES:	C1CCCCC1N(Cc2ccc(cc2)CNC(c4c3c(N=CNC3=O)sc4)=O)CC
InChi:	InChI=1S/C23H28N4O2S/c1-2-27(18-6-4-3-5-7-18)13-17-10-8-16(9-11-17)12-24-21(28)19-14-30-23-20(19)22(29)25-15-26-23/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,24,28)(H,25,26,29)
Definition date:	2018-03-16
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide

9NX

9NX
Name:	5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol
Formula:	C17 H15 Br N4 O2 S
SMILES:	COc1cc(C=Nn2c(SC)nnc2c3ccccc3)c(Br)cc1O
InChi:	InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+
Definition date:	2018-06-11
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	5-bromanyl-2-methoxy-4-[(~{E})-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol

9YB

9YB
Name:	(3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid
Formula:	C30 H32 N4 O5
SMILES:	COc1ccc(CN2CCc3n(CCO)nc(C(=O)N[CH](CC(O)=O)c4ccccc4)c3C2)c5ccccc15
InChi:	InChI=1S/C30H32N4O5/c1-39-27-12-11-21(22-9-5-6-10-23(22)27)18-33-14-13-26-24(19-33)29(32-34(26)15-16-35)30(38)31-25(17-28(36)37)20-7-3-2-4-8-20/h2-12,25,35H,13-19H2,1H3,(H,31,38)(H,36,37)/t25-/m1/s1
Definition date:	2017-08-01
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	(3~{R})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid

DGP

DGP
Name:	2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:	InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Definition date:	1999-07-08
Last modified:	2019-03-01
Identifier:	2'-deoxy-5'-guanylic acid

AYO

AYO
Name:	(4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
Formula:	C26 H29 Cl2 N3 O5
SMILES:	C(=O)(CC(c2c(c(c1noc(CC(C)(C)C)c1)on2)C3CC3)CCC(O)=O)Nc4ccc(cc4Cl)Cl
InChi:	InChI=1S/C26H29Cl2N3O5/c1-26(2,3)13-17-12-20(30-35-17)25-23(14-4-5-14)24(31-36-25)15(6-9-22(33)34)10-21(32)29-19-8-7-16(27)11-18(19)28/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,29,32)(H,33,34)/t15-/m0/s1
Definition date:	2018-12-07
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	(4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid

HG5

HG5
Name:	(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one
Formula:	C30 H38 N6 O2
SMILES:	CCOc1cc(ccc1Nc2ncc3N(C)C(=O)[CH](CC)N(Cc4ccccc4)c3n2)C5CCN(C)CC5
InChi:	InChI=1S/C30H38N6O2/c1-5-25-29(37)35(4)26-19-31-30(33-28(26)36(25)20-21-10-8-7-9-11-21)32-24-13-12-23(18-27(24)38-6-2)22-14-16-34(3)17-15-22/h7-13,18-19,22,25H,5-6,14-17,20H2,1-4H3,(H,31,32,33)/t25-/m1/s1
Definition date:	2018-12-05
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one

HG8

HG8
Name:	(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one
Formula:	C29 H38 N6 O2 S
SMILES:	CCOc1cc(ccc1Nc2ncc3N(C)C(=O)[CH](CC)N(Cc4scc(C)c4)c3n2)C5CCN(C)CC5
InChi:	InChI=1S/C29H38N6O2S/c1-6-24-28(36)34(5)25-16-30-29(32-27(25)35(24)17-22-14-19(3)18-38-22)31-23-9-8-21(15-26(23)37-7-2)20-10-12-33(4)13-11-20/h8-9,14-16,18,20,24H,6-7,10-13,17H2,1-5H3,(H,30,31,32)/t24-/m1/s1
Definition date:	2018-12-05
Last modified:	2019-03-01
Release date:	2019-03-06
Identifier:	(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one

AVT

AVT
Name:	2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid
Formula:	C21 H16 F N3 O4
SMILES:	COc1ccc(cc1)c2nc3ccc(F)cc3c4C(=O)N(CC(O)=O)C(=Nc24)C
InChi:	InChI=1S/C21H16FN3O4/c1-11-23-20-18(21(28)25(11)10-17(26)27)15-9-13(22)5-8-16(15)24-19(20)12-3-6-14(29-2)7-4-12/h3-9H,10H2,1-2H3,(H,26,27)
Definition date:	2017-08-24
Last modified:	2019-02-27
Release date:	2018-05-09
Identifier:	2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid

G4Z

G4Z
Name:	(1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol
Formula:	C13 H20 Cl N O2 S
SMILES:	CN(CCS)[CH](O)C(C)(C)Oc1ccc(Cl)cc1
InChi:	InChI=1S/C13H20ClNO2S/c1-13(2,12(16)15(3)8-9-18)17-11-6-4-10(14)5-7-11/h4-7,12,16,18H,8-9H2,1-3H3/t12-/m1/s1
Definition date:	2018-08-28
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol

G8Q

G8Q
Name:	(1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol
Formula:	C16 H28 N2 O3 S
SMILES:	CN([CH](O)OC(C)(C)C)[CH]([CH](O)NCCS)c1ccccc1
InChi:	InChI=1S/C16H28N2O3S/c1-16(2,3)21-15(20)18(4)13(14(19)17-10-11-22)12-8-6-5-7-9-12/h5-9,13-15,17,19-20,22H,10-11H2,1-4H3/t13-,14+,15+/m0/s1
Definition date:	2018-09-06
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(1~{R},2~{S})-2-[methyl-[(~{R})-(2-methylpropan-2-yl)oxy-oxidanyl-methyl]amino]-2-phenyl-1-(2-sulfanylethylamino)ethanol

G8T

G8T
Name:	(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
Formula:	C17 H21 N O S
SMILES:	CC([CH](O)NCCS)(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C17H21NOS/c1-17(16(19)18-12-13-20,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-20H,12-13H2,1H3/t16-/m0/s1
Definition date:	2018-09-06
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol

G92

G92
Name:	[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
Formula:	C23 H22 F3 N3 O4
SMILES:	COc1cc2ncnc(C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4)c2cc1OC
InChi:	InChI=1S/C23H22F3N3O4/c1-31-19-11-17-18(12-20(19)32-2)27-13-28-21(17)14-7-9-29(10-8-14)22(30)15-3-5-16(6-4-15)33-23(24,25)26/h3-6,11-14H,7-10H2,1-2H3
Definition date:	2018-09-07
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone

G9E

G9E
Name:	[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
Formula:	C22 H21 F3 N4 O3
SMILES:	COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(OC(F)(F)F)cc4N
InChi:	InChI=1S/C22H21F3N4O3/c1-31-14-2-5-17-19(11-14)27-12-28-20(17)13-6-8-29(9-7-13)21(30)16-4-3-15(10-18(16)26)32-22(23,24)25/h2-5,10-13H,6-9,26H2,1H3
Definition date:	2018-09-07
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	[2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone

GE8

GE8
Name:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide
Formula:	C13 H18 Cl N O2 S
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS
InChi:	InChI=1S/C13H18ClNO2S/c1-13(2,12(16)15-8-3-9-18)17-11-6-4-10(14)5-7-11/h4-7,18H,3,8-9H2,1-2H3,(H,15,16)
Definition date:	2018-09-13
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide

GEH

GEH
Name:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 Cl N O2 S
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCS
InChi:	InChI=1S/C12H16ClNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:	2018-09-13
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

J4Q

J4Q
Name:	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
Formula:	C8 H9 N3 O2 S2
SMILES:	C[S](=O)(=O)c1nccn1Cc2cscn2
InChi:	InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3
Definition date:	2019-01-24
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole

J9H

J9H
Name:	pentacoordinate Pt(II) compound
Formula:	C17 H18 N3 Pt
SMILES:	CC1=CCc2ccc3ccc(C)[n+]4c3c2N1[Pt]4(C)N.C=C
InChi:	InChI=1S/C14H13N2.C2H2.CH3.H2N.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:	2019-02-12
Last modified:	2019-02-22
Release date:	2019-02-27

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

XAF

XAF
Name:	2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol
Formula:	C23 H20 F N3 O3 S
SMILES:	Cc1cccc(n1)c2n[nH]cc2c3ccc(F)c(c3)c4ccc(cc4)[S](=O)(=O)CCO
InChi:	InChI=1S/C23H20FN3O3S/c1-15-3-2-4-22(26-15)23-20(14-25-27-23)17-7-10-21(24)19(13-17)16-5-8-18(9-6-16)31(29,30)12-11-28/h2-10,13-14,28H,11-12H2,1H3,(H,25,27)
Definition date:	2019-01-11
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol

GF8

GF8
Name:	2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide
Formula:	C10 H11 Cl2 N O S
SMILES:	SCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C10H11Cl2NOS/c11-8-2-1-7(5-9(8)12)6-10(14)13-3-4-15/h1-2,5,15H,3-4,6H2,(H,13,14)
Definition date:	2018-09-14
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide

GKZ

GKZ
Name:	1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
Formula:	C24 H28 Cl N4 O3
SMILES:	Cc1n[nH]c(c2ccc(OCC[NH+]3CCC(CC3)C(N)=O)cc2O)c1c4ccc(Cl)cc4
InChi:	InChI=1S/C24H27ClN4O3/c1-15-22(16-2-4-18(25)5-3-16)23(28-27-15)20-7-6-19(14-21(20)30)32-13-12-29-10-8-17(9-11-29)24(26)31/h2-7,14,17,30H,8-13H2,1H3,(H2,26,31)(H,27,28)/p+1
Definition date:	2018-09-28
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide

GNK

GNK
Name:	(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
Formula:	C15 H18 Cl N O
SMILES:	Clc1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1
InChi:	InChI=1S/C15H18ClNO/c16-12-3-1-11(2-4-12)7-8-17-13-5-6-14(17)10-15(18)9-13/h1-4,13-14H,5-10H2/t13-,14+
Definition date:	2018-09-28
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one

GNW

GNW
Name:	1-[(3-chlorophenyl)methyl]piperazine
Formula:	C11 H15 Cl N2
SMILES:	Clc1cccc(CN2CCNCC2)c1
InChi:	InChI=1S/C11H15ClN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2
Definition date:	2018-09-29
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	1-[(3-chlorophenyl)methyl]piperazine

GNZ

GNZ
Name:	(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
Formula:	C16 H18 F3 N O
SMILES:	FC(F)(F)c1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1
InChi:	InChI=1S/C16H18F3NO/c17-16(18,19)12-3-1-11(2-4-12)7-8-20-13-5-6-14(20)10-15(21)9-13/h1-4,13-14H,5-10H2/t13-,14+
Definition date:	2018-09-29
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one

GO5

GO5
Name:	(1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
Formula:	C16 H20 Cl N O
SMILES:	Clc1ccc(CCN2[CH]3CCC[CH]2CC(=O)C3)cc1
InChi:	InChI=1S/C16H20ClNO/c17-13-6-4-12(5-7-13)8-9-18-14-2-1-3-15(18)11-16(19)10-14/h4-7,14-15H,1-3,8-11H2/t14-,15+
Definition date:	2018-09-29
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

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