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8SG

8SG
Name:	N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide
Formula:	C9 H8 N2 O3
SMILES:	N(C(=O)c1ccco1)c2cc(C)no2
InChi:	InChI=1S/C9H8N2O3/c1-6-5-8(14-11-6)10-9(12)7-3-2-4-13-7/h2-5H,1H3,(H,10,12)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide

8SJ

8SJ
Name:	(4-nitrophenyl)methyl carbamimidothioate
Formula:	C8 H9 N3 O2 S
SMILES:	[N+]([O-])(=O)c1ccc(cc1)CSC(=[N@H])N
InChi:	InChI=1S/C8H9N3O2S/c9-8(10)14-5-6-1-3-7(4-2-6)11(12)13/h1-4H,5H2,(H3,9,10)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(4-nitrophenyl)methyl carbamimidothioate

8SM

8SM
Name:	2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine
Formula:	C13 H12 N4
SMILES:	n2(cc(c1ccccn1)c(n2)n3cccc3)C
InChi:	InChI=1S/C13H12N4/c1-16-10-11(12-6-2-3-7-14-12)13(15-16)17-8-4-5-9-17/h2-10H,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine

8SV

8SV
Name:	1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Formula:	C10 H12 N4 O3
SMILES:	N(c2c(cc1N(C(=O)N(c1c2)C)C)[N+]([O-])=O)C
InChi:	InChI=1S/C10H12N4O3/c1-11-6-4-8-9(5-7(6)14(16)17)13(3)10(15)12(8)2/h4-5,11H,1-3H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1,3-dimethyl-5-(methylamino)-6-nitro-1,3-dihydro-2H-benzimidazol-2-one

8T4

8T4
Name:	1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole
Formula:	C14 H13 N3
SMILES:	Cn3c(n1cccc1)c(c2ccccc2)cn3
InChi:	InChI=1S/C14H13N3/c1-16-14(17-9-5-6-10-17)13(11-15-16)12-7-3-2-4-8-12/h2-11H,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole

8T7

8T7
Name:	1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
Formula:	C11 H10 F3 N3
SMILES:	n2(C)nc(C(F)(F)F)c(c1ccccc1)c2N
InChi:	InChI=1S/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine

8TA

8TA
Name:	2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine
Formula:	C12 H10 N4
SMILES:	n1ccccc1c2cnnc2n3cccc3
InChi:	InChI=1S/C12H10N4/c1-2-6-13-11(5-1)10-9-14-15-12(10)16-7-3-4-8-16/h1-9H,(H,14,15)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine

8TG

8TG
Name:	7-bromo-1-methyl-6-nitroquinolin-2(1H)-one
Formula:	C10 H7 Br N2 O3
SMILES:	N1(C)C(=O)C=Cc2c1cc(c(c2)[N+]([O-])=O)Br
InChi:	InChI=1S/C10H7BrN2O3/c1-12-8-5-7(11)9(13(15)16)4-6(8)2-3-10(12)14/h2-5H,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	7-bromo-1-methyl-6-nitroquinolin-2(1H)-one

8TS

8TS
Name:	6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile
Formula:	C12 H14 N4 O
SMILES:	N1(CCN(CC1)c2ccc(C#N)cn2)C(C)=O
InChi:	InChI=1S/C12H14N4O/c1-10(17)15-4-6-16(7-5-15)12-3-2-11(8-13)9-14-12/h2-3,9H,4-7H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-(4-acetylpiperazin-1-yl)pyridine-3-carbonitrile

8TV

8TV
Name:	1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one
Formula:	C11 H15 N3 O
SMILES:	N1(C(C)=O)CCN(CC1)c2ccncc2
InChi:	InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11/h2-5H,6-9H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one

8U7

8U7
Name:	N-(1-benzylpiperidin-4-yl)-N'-methylurea
Formula:	C14 H21 N3 O
SMILES:	N(C)C(NC1CCN(CC1)Cc2ccccc2)=O
InChi:	InChI=1S/C14H21N3O/c1-15-14(18)16-13-7-9-17(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H2,15,16,18)
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-(1-benzylpiperidin-4-yl)-N'-methylurea

8UG

8UG
Name:	ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Formula:	C10 H14 N2 O2
SMILES:	n2cc1c(CCC(C1)C(OCC)=O)n2
InChi:	InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate

8UJ

8UJ
Name:	N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide
Formula:	C11 H20 N2 O3 S
SMILES:	N(CC1CC(=O)N(C1)C2CCCC2)S(C)(=O)=O
InChi:	InChI=1S/C11H20N2O3S/c1-17(15,16)12-7-9-6-11(14)13(8-9)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3/t9-/m0/s1
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	N-{[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl}methanesulfonamide

KZZ

KZZ
Name:	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
Formula:	C32 H33 N5 O2
SMILES:	COc1ccc(CN2CCc3n(CCN)nc(C(=O)NCc4cccc5ccccc45)c3C2)c6ccccc16
InChi:	InChI=1S/C32H33N5O2/c1-39-30-14-13-24(26-11-4-5-12-27(26)30)20-36-17-15-29-28(21-36)31(35-37(29)18-16-33)32(38)34-19-23-9-6-8-22-7-2-3-10-25(22)23/h2-14H,15-21,33H2,1H3,(H,34,38)
Definition date:	2016-12-19
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

8M4

8M4
Name:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid
Formula:	C27 H29 N3 O4
SMILES:	c4(CC1CCCCC1)cccc(C(Nc2ccc(C(O)=O)cc2Nc3ccc(cc3)OC)=O)n4
InChi:	InChI=1S/C27H29N3O4/c1-34-22-13-11-20(12-14-22)28-25-17-19(27(32)33)10-15-23(25)30-26(31)24-9-5-8-21(29-24)16-18-6-3-2-4-7-18/h5,8-15,17-18,28H,2-4,6-7,16H2,1H3,(H,30,31)(H,32,33)
Definition date:	2017-02-15
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-[(4-methoxyphenyl)amino]benzoic acid

8N7

8N7
Name:	6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide
Formula:	C25 H30 N6 O3
SMILES:	C(c4nc(C(Nc1c(cc(cc1)c2nnnn2)OC3CCOCC3)=O)ccc4)C5CCCCC5
InChi:	InChI=1S/C25H30N6O3/c32-25(22-8-4-7-19(26-22)15-17-5-2-1-3-6-17)27-21-10-9-18(24-28-30-31-29-24)16-23(21)34-20-11-13-33-14-12-20/h4,7-10,16-17,20H,1-3,5-6,11-15H2,(H,27,32)(H,28,29,30,31)
Definition date:	2017-02-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide

8RA

8RA
Name:	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one
Formula:	C11 H15 N3 O
SMILES:	N1(C(C)=O)CCN(CC1)c2ncccc2
InChi:	InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-4-2-3-5-12-11/h2-5H,6-9H2,1H3
Definition date:	2017-03-03
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one

6CZ

6CZ
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine
Formula:	C19 H27 N7 O8
SMILES:	n3c(c1c(n(cn1)C2OC(CN(CCC(C(=O)O)N)CC(C(=O)OCC)=O)C(C2O)O)nc3)N
InChi:	InChI=1S/C19H27N7O8/c1-2-33-19(32)10(27)5-25(4-3-9(20)18(30)31)6-11-13(28)14(29)17(34-11)26-8-24-12-15(21)22-7-23-16(12)26/h7-9,11,13-14,17,28-29H,2-6,20H2,1H3,(H,30,31)(H2,21,22,23)/t9-,11+,13+,14+,17+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-ethoxy-2,3-dioxopropyl)amino}-5'-deoxyadenosine

6D0

6D0
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine
Formula:	C17 H24 Br N7 O6
SMILES:	O=C(O)C(CCN(CC(CBr)=O)CC3OC(n1cnc2c(N)ncnc12)C(C3O)O)N
InChi:	InChI=1S/C17H24BrN7O6/c18-3-8(26)4-24(2-1-9(19)17(29)30)5-10-12(27)13(28)16(31-10)25-7-23-11-14(20)21-6-22-15(11)25/h6-7,9-10,12-13,16,27-28H,1-5,19H2,(H,29,30)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-bromo-2-oxopropyl)amino}-5'-deoxyadenosine

6D1

6D1
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine
Formula:	C16 H24 Cl N7 O5
SMILES:	NC(C(=O)O)CCN(CCCl)CC1OC(C(O)C1O)n2cnc3c2ncnc3N
InChi:	InChI=1S/C16H24ClN7O5/c17-2-4-23(3-1-8(18)16(27)28)5-9-11(25)12(26)15(29-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,15,25-26H,1-5,18H2,(H,27,28)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosine

6D2

6D2
Name:	5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine
Formula:	C18 H30 N10 O5
SMILES:	C(CN(CCC(C(O)=O)N)CC1C(O)C(O)C(O1)n3c2c(c(ncn2)N)nc3)CNC(=N)N
InChi:	InChI=1S/C18H30N10O5/c19-9(17(31)32)2-5-27(4-1-3-23-18(21)22)6-10-12(29)13(30)16(33-10)28-8-26-11-14(20)24-7-25-15(11)28/h7-10,12-13,16,29-30H,1-6,19H2,(H,31,32)(H2,20,24,25)(H4,21,22,23)/t9-,10+,12+,13+,16+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl](3-carbamimidamidopropyl)amino}-5'-deoxyadenosine

6D3

6D3
Name:	(2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)
Formula:	C22 H33 N11 O7
SMILES:	O=C(O)C(N)CCN(CC1OC(C(O)C1O)n2cnc3c2ncnc3N)CCCn4nnc(c4)CC(C(O)=O)N
InChi:	InChI=1S/C22H33N11O7/c23-12(21(36)37)2-5-31(3-1-4-32-7-11(29-30-32)6-13(24)22(38)39)8-14-16(34)17(35)20(40-14)33-10-28-15-18(25)26-9-27-19(15)33/h7,9-10,12-14,16-17,20,34-35H,1-6,8,23-24H2,(H,36,37)(H,38,39)(H2,25,26,27)/t12-,13-,14+,16+,17+,20+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name)

6D4

6D4
Name:	5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine
Formula:	C16 H28 N10 O5
SMILES:	C(CN(CCC(C(O)=O)N)CC3C(C(C(n2c1ncnc(c1nc2)N)O3)O)O)NNN
InChi:	InChI=1S/C16H28N10O5/c17-8(16(29)30)1-3-25(4-2-23-24-19)5-9-11(27)12(28)15(31-9)26-7-22-10-13(18)20-6-21-14(10)26/h6-9,11-12,15,23-24,27-28H,1-5,17,19H2,(H,29,30)(H2,18,20,21)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2016-03-16
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	5'-{[(3S)-3-amino-3-carboxypropyl][2-(triazan-1-yl)ethyl]amino}-5'-deoxyadenosine

6GA

6GA
Name:	(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide
Formula:	C17 H17 F N2 O3
SMILES:	O=C(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F
InChi:	InChI=1S/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-15(17(22)20-23)16(21)19-11-13-4-2-1-3-5-13/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)/t15-/m0/s1
Definition date:	2016-04-05
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	(2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide

6K5

6K5
Name:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol
Formula:	C18 H21 Cl F3 N7 O2
SMILES:	FC(c1c(cnc(c1)N)c2nc(nc(n2)N3CC(C3)(CCl)CO)N4CCOCC4)(F)F
InChi:	InChI=1S/C18H21ClF3N7O2/c19-7-17(10-30)8-29(9-17)16-26-14(25-15(27-16)28-1-3-31-4-2-28)11-6-24-13(23)5-12(11)18(20,21)22/h5-6,30H,1-4,7-10H2,(H2,23,24)
Definition date:	2016-04-21
Last modified:	2017-03-10
Release date:	2017-03-15
Identifier:	[1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol

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233605

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