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F47
F47
Name:4-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]phenol
Formula:C17 H12 F N5 O
SMILES:Fc4ccc(c1nn2c(nnc2nc1)Cc3ccc(O)cc3)cc4
InChi:InChI=1S/C17H12FN5O/c18-13-5-3-12(4-6-13)15-10-19-17-21-20-16(23(17)22-15)9-11-1-7-14(24)8-2-11/h1-8,10,24H,9H2
Definition date:2012-03-30
Last modified:2014-09-05
Release date:2012-09-21
Identifier:4-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl}phenol
FH3
FH3
Name:(S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide
Formula:C18 H22 Cl N7 O
SMILES:O=C(NCC4CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C
InChi:InChI=1S/C18H22ClN7O/c1-10-13(9-25(3)24-10)17-22-15-16(14(19)7-21-18(15)23-17)26-5-4-12(8-26)6-20-11(2)27/h7,9,12H,4-6,8H2,1-3H3,(H,20,27)(H,21,22,23)/t12-/m0/s1
Definition date:2013-07-19
Last modified:2014-09-05
Release date:2013-11-20
Identifier:N-({(3S)-1-[6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrrolidin-3-yl}methyl)acetamide
FH5
FH5
Name:(S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide
Formula:C17 H20 Cl N7 O
SMILES:O=C(NC4CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C
InChi:InChI=1S/C17H20ClN7O/c1-9-12(8-24(3)23-9)16-21-14-15(13(18)6-19-17(14)22-16)25-5-4-11(7-25)20-10(2)26/h6,8,11H,4-5,7H2,1-3H3,(H,20,26)(H,19,21,22)/t11-/m0/s1
Definition date:2013-07-19
Last modified:2014-09-05
Release date:2013-11-20
Identifier:N-{(3S)-1-[6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrrolidin-3-yl}acetamide
2A8
2A8
Name:2-AMINO-PHENYLAMINO-DIBENZOSUBERONE
Formula:C21 H18 N2 O
SMILES:O=C3c2c(cc(Nc1ccccc1N)cc2)CCc4c3cccc4
InChi:InChI=1S/C21H18N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-8,11-13,23H,9-10,22H2
Definition date:2011-08-18
Last modified:2014-09-05
Identifier:2-[(2-aminophenyl)amino]-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
2K0
2K0
Name:[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone
Formula:C23 H22 Cl N5 O2
SMILES:Clc1ccc(cc1C(=O)c5c4cc(c2cn(nc2)C3CCNCC3)cnc4nc5)CO
InChi:InChI=1S/C23H22ClN5O2/c24-21-2-1-14(13-30)7-19(21)22(31)20-11-27-23-18(20)8-15(9-26-23)16-10-28-29(12-16)17-3-5-25-6-4-17/h1-2,7-12,17,25,30H,3-6,13H2,(H,26,27)
Definition date:2014-04-07
Last modified:2014-09-05
Release date:2014-09-10
Identifier:[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone
2KR
2KR
Name:N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
Formula:C19 H17 N5 O
SMILES:n1cccc2nc(OC)n(c12)c4ccc(Nc3ncc(cc3)C)cc4
InChi:InChI=1S/C19H17N5O/c1-13-5-10-17(21-12-13)22-14-6-8-15(9-7-14)24-18-16(4-3-11-20-18)23-19(24)25-2/h3-12H,1-2H3,(H,21,22)
Definition date:2014-04-09
Last modified:2014-09-05
Release date:2014-07-23
Identifier:N-[4-(2-methoxy-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]-5-methylpyridin-2-amine
GMK
GMK
Name:(3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide
Formula:C28 H36 N2 O15 S2
SMILES:O=S(=O)(O)OC4C(NC(=O)c1cccc(OC)c1)C(O)C(OC4SC3OC(CO)C(O)C(NC(=O)c2cccc(OC)c2)C3O)CO
InChi:InChI=1S/C28H36N2O15S2/c1-41-15-7-3-5-13(9-15)25(36)29-19-21(33)17(11-31)43-27(23(19)35)46-28-24(45-47(38,39)40)20(22(34)18(12-32)44-28)30-26(37)14-6-4-8-16(10-14)42-2/h3-10,17-24,27-28,31-35H,11-12H2,1-2H3,(H,29,36)(H,30,37)(H,38,39,40)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
Definition date:2013-05-03
Last modified:2014-09-05
Release date:2014-05-21
Identifier:3-deoxy-3-[(3-methoxybenzoyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-2-O-sulfo-1-thio-beta-D-galactopyranoside
5TF
5TF
Name:(S)-3-(1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethyl)-N-isopropyl-(1,2,4)triazolo(4,3-b)pyridazin-6-amine
Formula:C17 H19 N7
SMILES:n1nc4ccc(nn4c1C(c3c2cccnc2nc3)C)NC(C)C
InChi:InChI=1S/C17H19N7/c1-10(2)20-14-6-7-15-21-22-17(24(15)23-14)11(3)13-9-19-16-12(13)5-4-8-18-16/h4-11H,1-3H3,(H,18,19)(H,20,23)/t11-/m0/s1
Definition date:2012-11-20
Last modified:2014-09-05
Release date:2013-11-27
Identifier:N-(propan-2-yl)-3-[(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
4K0
4K0
Name:4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
Formula:C19 H12 N8
SMILES:N#Cc5ccc(c1nn2c(nnc2nc1)Cc4c3cccnc3nc4)cc5
InChi:InChI=1S/C19H12N8/c20-9-12-3-5-13(6-4-12)16-11-23-19-25-24-17(27(19)26-16)8-14-10-22-18-15(14)2-1-7-21-18/h1-7,10-11H,8H2,(H,21,22)
Definition date:2012-03-27
Last modified:2014-09-05
Release date:2012-09-21
Identifier:4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile
H34
H34
Name:(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL
Formula:C23 H26 Cl N5 O
SMILES:Clc2ccc1c(N)c4c(nc1c2)CC5C=C(CCCCn3nnc(c3)CO)CC4C5
InChi:InChI=1S/C23H26ClN5O/c24-17-4-5-19-20(11-17)26-21-10-15-7-14(8-16(9-15)22(21)23(19)25)3-1-2-6-29-12-18(13-30)27-28-29/h4-5,7,11-12,15-16,30H,1-3,6,8-10,13H2,(H2,25,26)/t15-,16+/m0/s1
Definition date:2011-09-14
Last modified:2014-09-05
Identifier:(1-{4-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]butyl}-1H-1,2,3-triazol-4-yl)methanol
HQZ
HQZ
Name:trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
Formula:C3 H11 B N O5 S
SMILES:O=S(=O)(NC([B-](O)(O)O)C)C
InChi:InChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1
Definition date:2012-08-01
Last modified:2014-09-05
Release date:2013-08-21
Identifier:trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
HUW
HUW
Name:HUPRINE W
Formula:C18 H19 Cl N2 O
SMILES:Clc2ccc1c(N)c3c(nc1c2)CC4C=C(CC3C4)CCO
InChi:InChI=1S/C18H19ClN2O/c19-13-1-2-14-15(9-13)21-16-8-11-5-10(3-4-22)6-12(7-11)17(16)18(14)20/h1-2,5,9,11-12,22H,3-4,6-8H2,(H2,20,21)/t11-,12+/m0/s1
Definition date:2012-10-06
Last modified:2014-09-05
Release date:2013-05-29
Identifier:2-[(7S,11S)-12-amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl]ethanol
25Q
25Q
Name:2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C18 H15 N5 O2
SMILES:O=C(c2c1nc4ccccc4nc1n(c2N)c3cccc(OC)c3)N
InChi:InChI=1S/C18H15N5O2/c1-25-11-6-4-5-10(9-11)23-16(19)14(17(20)24)15-18(23)22-13-8-3-2-7-12(13)21-15/h2-9H,19H2,1H3,(H2,20,24)
Definition date:2014-03-14
Last modified:2014-09-05
Release date:2014-08-13
Identifier:2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
IE4
IE4
Name:N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide
Formula:C13 H14 N4 O2 S2
SMILES:O=S(=O)(c3sc(C1=CN=C2C1=CC=CN2)cc3)NCCN
InChi:InChI=1S/C13H14N4O2S2/c14-5-7-17-21(18,19)12-4-3-11(20-12)10-8-16-13-9(10)2-1-6-15-13/h1-4,6,8,17H,5,7,14H2,(H,15,16)
Definition date:2013-04-10
Last modified:2014-09-05
Release date:2013-07-03
Identifier:N-(2-aminoethyl)-5-(7H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-sulfonamide
IE6
IE6
Name:N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide
Formula:C14 H16 N4 O2 S2
SMILES:O=S(=O)(c3sc(c1c2c(ncc1)nc(c2)C)cc3)NCCN
InChi:InChI=1S/C14H16N4O2S2/c1-9-8-11-10(4-6-16-14(11)18-9)12-2-3-13(21-12)22(19,20)17-7-5-15/h2-4,6,8,17H,5,7,15H2,1H3,(H,16,18)
Definition date:2013-04-10
Last modified:2014-09-05
Release date:2013-07-03
Identifier:N-(2-aminoethyl)-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-sulfonamide
2YK
2YK
Name:6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
Formula:C17 H16 N6 O2 S
SMILES:n1nc3ccc(nn3c1c2cn(nc2)C)Sc4cc(OC)ccc4OC
InChi:InChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)17-20-19-15-6-7-16(21-23(15)17)26-14-8-12(24-2)4-5-13(14)25-3/h4-10H,1-3H3
Definition date:2014-04-16
Last modified:2014-08-29
Release date:2014-09-03
Identifier:6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
1UE
1UE
Name:2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
Formula:C16 H12 N4 O S
SMILES:O=C3c4c2c(Sc1ccccc1)cccc2nc4N=C(N)N3
InChi:InChI=1S/C16H12N4OS/c17-16-19-14-13(15(21)20-16)12-10(18-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H4,17,18,19,20,21)
Definition date:2013-06-07
Last modified:2014-08-01
Release date:2014-08-06
Identifier:2-amino-5-(phenylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
1UG
1UG
Name:2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
Formula:C20 H14 N4 O S
SMILES:O=C4c5c3c(Sc2c1ccccc1ccc2)cccc3nc5N=C(N)N4
InChi:InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-13(22-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H4,21,22,23,24,25)
Definition date:2013-06-07
Last modified:2014-08-01
Release date:2014-08-06
Identifier:2-amino-5-(naphthalen-1-ylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one
36X
36X
Name:4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
Formula:C12 H16 N2
SMILES:[N@H]=C1C3=C(N(C2=C1CCC2)C)CCC3
InChi:InChI=1S/C12H16N2/c1-14-10-6-2-4-8(10)12(13)9-5-3-7-11(9)14/h13H,2-7H2,1H3
Definition date:2014-06-27
Last modified:2014-08-01
Release date:2014-08-06
Identifier:4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine
F76
F76
Name:2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
Formula:C23 H23 N3 O5 S
SMILES:O=S(=O)(N)c1ccc(cc1)NC(=O)COC(=O)c2c4c(nc3ccccc23)CCCCC4
InChi:InChI=1S/C23H23N3O5S/c24-32(29,30)16-12-10-15(11-13-16)25-21(27)14-31-23(28)22-17-6-2-1-3-8-19(17)26-20-9-5-4-7-18(20)22/h4-5,7,9-13H,1-3,6,8,14H2,(H,25,27)(H2,24,29,30)
Definition date:2013-07-30
Last modified:2014-08-01
Release date:2014-08-06
Identifier:2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
N95
N95
Name:[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
Formula:C7 H6 B Cl N4 O2
SMILES:Clc1ncnc(c1)n2ncc(c2)B(O)O
InChi:InChI=1S/C7H6BClN4O2/c9-6-1-7(11-4-10-6)13-3-5(2-12-13)8(14)15/h1-4,14-15H
Definition date:2013-08-06
Last modified:2014-07-25
Release date:2014-07-30
Identifier:[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid
NG2
NG2
Name:N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
Formula:C29 H30 F3 N5 O2
SMILES:FC(F)(F)c4cc(NC(=O)c3ccc(c(Oc2ccnc1nccc12)c3)C)ccc4CN5CCN(CC)CC5
InChi:InChI=1S/C29H30F3N5O2/c1-3-36-12-14-37(15-13-36)18-21-6-7-22(17-24(21)29(30,31)32)35-28(38)20-5-4-19(2)26(16-20)39-25-9-11-34-27-23(25)8-10-33-27/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,33,34)(H,35,38)
Definition date:2014-01-08
Last modified:2014-07-25
Release date:2014-07-30
Identifier:N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
NL9
NL9
Name:[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
Formula:C9 H8 B Cl N2 O2
SMILES:Clc1cccc(c1)n2ncc(c2)B(O)O
InChi:InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
Definition date:2013-08-06
Last modified:2014-07-25
Release date:2014-07-30
Identifier:[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
704
704
Name:N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide
Formula:C16 H16 Cl F N6 O
SMILES:O=C(N(C)C)C(Nc1nc(ncc1F)c3c2cc(Cl)cnc2nc3)C
InChi:InChI=1S/C16H16ClFN6O/c1-8(16(25)24(2)3)22-15-12(18)7-21-14(23-15)11-6-20-13-10(11)4-9(17)5-19-13/h4-8H,1-3H3,(H,19,20)(H,21,22,23)/t8-/m0/s1
Definition date:2013-11-14
Last modified:2014-07-25
Release date:2014-07-30
Identifier:N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide
25N
25N
Name:(3,5-di-tert-butylphenyl)boronic acid
Formula:C14 H23 B O2
SMILES:OB(O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
InChi:InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3
Definition date:2013-08-06
Last modified:2014-07-25
Release date:2014-07-30
Identifier:(3,5-di-tert-butylphenyl)boronic acid

224931

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