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EFW
EFW
Name:6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide
Formula:C11 H15 N3 O2
SMILES:O=C(c2cnc(NC1CC(O)CC1)cc2)N
InChi:InChI=1S/C11H15N3O2/c12-11(16)7-1-4-10(13-6-7)14-8-2-3-9(15)5-8/h1,4,6,8-9,15H,2-3,5H2,(H2,12,16)(H,13,14)/t8-,9-/m1/s1
Definition date:2012-04-10
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide
EFY
EFY
Name:N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
Formula:C25 H29 N3 O3
SMILES:O=C(c1cccc(c1)C(C)(C)C)NCC4(NC(=O)c2cccc3nocc23)CCCC4
InChi:InChI=1S/C25H29N3O3/c1-24(2,3)18-9-6-8-17(14-18)22(29)26-16-25(12-4-5-13-25)27-23(30)19-10-7-11-21-20(19)15-31-28-21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,26,29)(H,27,30)
Definition date:2012-04-10
Last modified:2016-03-11
Release date:2016-03-16
Identifier:N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
51O
51O
Name:Au(caffein-2-ylidene)2
Formula:C18 H24 Au N8 O4
SMILES:O=C1N(c2c(C(N1C)=O)n(C)c([n+]2C)[Au+]c3n(c4c([n+]3C)N(C)C(=O)N(C)C4=O)C)C
InChi:InChI=1S/2C9H12N4O2.Au/c2*1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3
Definition date:2015-07-10
Last modified:2016-03-11
Release date:2016-03-16
Identifier:bis(1,3,7,9-tetramethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)gold(1+)
954
954
Name:5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
Formula:C18 H18 F N7 O S2
SMILES:Fc1c(SC)nc(nc1C)N3CC2C(=O)N(C)C(=[N@H])NC2(C3)c4sc(cc4)C#N
InChi:InChI=1S/C18H18FN7OS2/c1-9-13(19)14(28-3)23-17(22-9)26-7-11-15(27)25(2)16(21)24-18(11,8-26)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,24)/t11-,18-/m0/s1
Definition date:2016-01-12
Last modified:2016-03-11
Release date:2016-03-16
Identifier:5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
F60
F60
Name:1H-indol-6-ol
Formula:C8 H7 N O
SMILES:Oc1ccc2c(c1)ncc2
InChi:InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H
Definition date:2015-10-15
Last modified:2016-03-11
Release date:2016-03-16
Identifier:1H-indol-6-ol
ICB
ICB
Name:1H-indole-2-carboxylic acid
Formula:C9 H7 N O2
SMILES:O=C(O)c2cc1ccccc1n2
InChi:InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
Definition date:2014-05-21
Last modified:2016-03-11
Release date:2016-03-16
Identifier:1H-indole-2-carboxylic acid
4EF
4EF
Name:3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide
Formula:C17 H19 Cl N6 O3 S
SMILES:c43c(Nc2c(N1CCOCC1)ccc(c2)S(=O)(=O)NC)ncnc3ncc4Cl
InChi:InChI=1S/C17H19ClN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23)
Definition date:2015-03-06
Last modified:2016-03-11
Release date:2016-03-16
Identifier:3-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide
4F9
4F9
Name:4-(1H-imidazol-5-yl)pyridine
Formula:C8 H7 N3
SMILES:c1c(ccnc1)c2cncn2
InChi:InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-5-10-6-11-8/h1-6H,(H,10,11)
Definition date:2015-03-16
Last modified:2016-03-11
Release date:2016-03-16
Identifier:4-(1H-imidazol-5-yl)pyridine
4FD
4FD
Name:6-(benzylamino)pyridine-3-carboxamide
Formula:C13 H13 N3 O
SMILES:NC(c1cnc(cc1)NCc2ccccc2)=O
InChi:InChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16)
Definition date:2015-03-16
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-(benzylamino)pyridine-3-carboxamide
4FG
4FG
Name:6-aminopyridine-3-carboxamide
Formula:C6 H7 N3 O
SMILES:c1c(cnc(c1)N)C(=O)N
InChi:InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
Definition date:2015-03-16
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-aminopyridine-3-carboxamide
4FL
4FL
Name:4-(1H-imidazol-2-yl)pyridine
Formula:C8 H7 N3
SMILES:c1c(ccnc1)c2nccn2
InChi:InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-6H,(H,10,11)
Definition date:2015-03-16
Last modified:2016-03-11
Release date:2016-03-16
Identifier:4-(1H-imidazol-2-yl)pyridine
4FM
4FM
Name:4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide
Formula:C10 H9 Cl N4 O2
SMILES:c1c(ccc(c1)Cl)CNC(c2c(non2)N)=O
InChi:InChI=1S/C10H9ClN4O2/c11-7-3-1-6(2-4-7)5-13-10(16)8-9(12)15-17-14-8/h1-4H,5H2,(H2,12,15)(H,13,16)
Definition date:2015-03-16
Last modified:2016-03-11
Release date:2016-03-16
Identifier:4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide
4FN
4FN
Name:N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide
Formula:C26 H31 N3 O3
SMILES:N(C1(CCCCC1)CNC(c2cccc(c2)C(C)(C)C)=O)C(c4cccc3c4con3)=O
InChi:InChI=1S/C26H31N3O3/c1-25(2,3)19-10-7-9-18(15-19)23(30)27-17-26(13-5-4-6-14-26)28-24(31)20-11-8-12-22-21(20)16-32-29-22/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,30)(H,28,31)
Definition date:2015-03-16
Last modified:2016-03-11
Release date:2016-03-16
Identifier:N-(1-{[(3-tert-butylbenzoyl)amino]methyl}cyclohexyl)-2,1-benzoxazole-4-carboxamide
4FV
4FV
Name:4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
Formula:C8 H12 N4 O3
SMILES:c1(c(non1)N)C(=O)NC2CCC(C2)O
InChi:InChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(14)10-4-1-2-5(13)3-4/h4-5,13H,1-3H2,(H2,9,12)(H,10,14)/t4-,5+/m1/s1
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide
4FX
4FX
Name:6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
Formula:C14 H15 N3 O2
SMILES:c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)OC
InChi:InChI=1S/C14H15N3O2/c1-19-12-5-3-2-4-10(12)8-16-13-7-6-11(9-17-13)14(15)18/h2-7,9H,8H2,1H3,(H2,15,18)(H,16,17)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-[(2-methoxybenzyl)amino]pyridine-3-carboxamide
4G0
4G0
Name:6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
Formula:C15 H18 N4 O
SMILES:c1cc(cc(c1)N(C)C)CNc2ccc(cn2)C(=O)N
InChi:InChI=1S/C15H18N4O/c1-19(2)13-5-3-4-11(8-13)9-17-14-7-6-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-{[3-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
4G1
4G1
Name:N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
Formula:C22 H23 N3 O3
SMILES:c1cc(cc(c1)C)C(=O)NCC2(CCCC2)NC(c4cccc3c4con3)=O
InChi:InChI=1S/C22H23N3O3/c1-15-6-4-7-16(12-15)20(26)23-14-22(10-2-3-11-22)24-21(27)17-8-5-9-19-18(17)13-28-25-19/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)(H,24,27)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:N-(1-{[(3-methylbenzoyl)amino]methyl}cyclopentyl)-2,1-benzoxazole-4-carboxamide
4G3
4G3
Name:6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
Formula:C13 H13 N3 O2
SMILES:c1cc(cc(c1)O)CNc2ccc(cn2)C(=O)N
InChi:InChI=1S/C13H13N3O2/c14-13(18)10-4-5-12(16-8-10)15-7-9-2-1-3-11(17)6-9/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-[(3-hydroxybenzyl)amino]pyridine-3-carboxamide
4G4
4G4
Name:6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
Formula:C15 H18 N4 O
SMILES:c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)N(C)C
InChi:InChI=1S/C15H18N4O/c1-19(2)13-6-4-3-5-11(13)9-17-14-8-7-12(10-18-14)15(16)20/h3-8,10H,9H2,1-2H3,(H2,16,20)(H,17,18)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-{[2-(dimethylamino)benzyl]amino}pyridine-3-carboxamide
4GM
4GM
Name:6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
Formula:C13 H13 N3 O2
SMILES:c2cc(CNc1ccc(cn1)C(=O)N)c(cc2)O
InChi:InChI=1S/C13H13N3O2/c14-13(18)10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)17/h1-6,8,17H,7H2,(H2,14,18)(H,15,16)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-[(2-hydroxybenzyl)amino]pyridine-3-carboxamide
4GN
4GN
Name:6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
Formula:C12 H17 N3 O
SMILES:c1c(cnc(c1)NCC2CCCC2)C(N)=O
InChi:InChI=1S/C12H17N3O/c13-12(16)10-5-6-11(15-8-10)14-7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,13,16)(H,14,15)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-[(cyclopentylmethyl)amino]pyridine-3-carboxamide
4GO
4GO
Name:6-(cyclopentylamino)pyridine-3-carboxamide
Formula:C11 H15 N3 O
SMILES:c1c(cnc(c1)NC2CCCC2)C(=O)N
InChi:InChI=1S/C11H15N3O/c12-11(15)8-5-6-10(13-7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
Definition date:2015-03-17
Last modified:2016-03-11
Release date:2016-03-16
Identifier:6-(cyclopentylamino)pyridine-3-carboxamide
4GS
4GS
Name:4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
Formula:C8 H13 N5 O2
SMILES:c1(c(non1)N)C(=O)NC2CCNCC2
InChi:InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)
Definition date:2015-03-18
Last modified:2016-03-11
Release date:2016-03-16
Identifier:4-amino-N-(piperidin-4-yl)-1,2,5-oxadiazole-3-carboxamide
4GT
4GT
Name:4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
Formula:C10 H15 N5 O
SMILES:c1c(C(N)=O)c(nc(n1)NC2CCCC2)N
InChi:InChI=1S/C10H15N5O/c11-8-7(9(12)16)5-13-10(15-8)14-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,16)(H3,11,13,14,15)
Definition date:2015-03-18
Last modified:2016-03-11
Release date:2016-03-16
Identifier:4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide
4GX
4GX
Name:(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
Formula:C13 H16 N6 O2
SMILES:n3c(c(C(N1CCN(CC1)Cc2ccccn2)=O)no3)N
InChi:InChI=1S/C13H16N6O2/c14-12-11(16-21-17-12)13(20)19-7-5-18(6-8-19)9-10-3-1-2-4-15-10/h1-4H,5-9H2,(H2,14,17)
Definition date:2015-03-18
Last modified:2016-03-11
Release date:2016-03-16
Identifier:(4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

223532

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