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69T
69T
Name:4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol
Formula:C15 H13 N3 O2
SMILES:c1(ccc(cc1)O)Nc2cc(nn2)c3ccc(cc3)O
InChi:InChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol
69U
69U
Name:4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol
Formula:C22 H19 N3 O3
SMILES:C(Nc1nnc(c1c2ccc(cc2)O)c3ccc(cc3)O)c4ccc(cc4)O
InChi:InChI=1S/C22H19N3O3/c26-17-7-1-14(2-8-17)13-23-22-20(15-3-9-18(27)10-4-15)21(24-25-22)16-5-11-19(28)12-6-16/h1-12,26-28H,13H2,(H2,23,24,25)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol
69W
69W
Name:4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine
Formula:C15 H14 N4
SMILES:Nc1cccc(c1)c2cc(ccc2)c3c(N)nnc3
InChi:InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)
Definition date:2016-02-23
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine
6CB
6CB
Name:3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
Formula:C23 H19 F N6 O
SMILES:c4(cc(c3c(NC(=O)c1c(ccc(n1)c2ccccc2F)N)cncc3)cc(N)n4)C
InChi:InChI=1S/C23H19FN6O/c1-13-10-14(11-21(26)28-13)15-8-9-27-12-20(15)30-23(31)22-18(25)6-7-19(29-22)16-4-2-3-5-17(16)24/h2-12H,25H2,1H3,(H2,26,28)(H,30,31)
Definition date:2016-03-09
Last modified:2016-04-01
Release date:2016-04-06
Identifier:3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide
6E4
6E4
Name:L-glutamamide
Formula:C5 H11 N3 O2
SMILES:NC(CCC(N)C(N)=O)=O
InChi:InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)/t3-/m0/s1
Definition date:2016-03-21
Last modified:2016-04-01
Release date:2016-04-06
Identifier:L-glutamamide
BK8
BK8
Name:4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine
Formula:C24 H27 N5 O
SMILES:Nc1nnc2c1c(cc(c2)CN3CCNCC3)c4ccc5c(c4)ccc(c5)OCC
InChi:InChI=1S/C24H27N5O/c1-2-30-20-6-5-17-13-19(4-3-18(17)14-20)21-11-16(15-29-9-7-26-8-10-29)12-22-23(21)24(25)28-27-22/h3-6,11-14,26H,2,7-10,15H2,1H3,(H3,25,27,28)
Definition date:2015-03-25
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine
96B
96B
Name:(2R)-2-phenylpyrrolidine
Formula:C10 H13 N
SMILES:N1C(CCC1)c2ccccc2
InChi:InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2/t10-/m1/s1
Definition date:2015-03-04
Last modified:2016-04-01
Release date:2016-04-06
Identifier:(2R)-2-phenylpyrrolidine
98B
98B
Name:(1S)-1-phenylethanamine
Formula:C8 H11 N
SMILES:NC(C)c1ccccc1
InChi:InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
Definition date:2015-03-04
Last modified:2016-04-01
Release date:2016-04-06
Identifier:(1S)-1-phenylethanamine
DJ6
DJ6
Name:2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide
Formula:C10 H6 Cl2 N2 O S
SMILES:c2cc(NC(=O)c1cc(sc1Cl)Cl)cnc2
InChi:InChI=1S/C10H6Cl2N2OS/c11-8-4-7(9(12)16-8)10(15)14-6-2-1-3-13-5-6/h1-5H,(H,14,15)
Definition date:2016-03-15
Last modified:2016-04-01
Release date:2016-04-06
Identifier:2,5-dichloro-N-(pyridin-3-yl)thiophene-3-carboxamide
GGJ
GGJ
Name:4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine
Formula:C22 H20 N4 O
SMILES:O(C)c1ccc(cc1)c4c(c3cc(c2cccc(c2)N)ccc3)c(nn4)N
InChi:InChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26)
Definition date:2016-02-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine
5MK
5MK
Name:2-azanyl-5-chloranyl-benzamide
Formula:C7 H7 Cl N2 O
SMILES:NC(=O)c1cc(Cl)ccc1N
InChi:InChI=1S/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
Definition date:2015-10-22
Last modified:2016-04-01
Release date:2016-04-06
Identifier:2-azanyl-5-chloranyl-benzamide
5QE
5QE
Name:~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide
Formula:C27 H34 N4 O3 S
SMILES:C[CH]1CN(C[CH](C)O1)c2nc(SCCc3ccc(NC(C)=O)cc3)c(C#N)c4CC(C)(C)OCc24
InChi:InChI=1S/C27H34N4O3S/c1-17-14-31(15-18(2)34-17)25-24-16-33-27(4,5)12-22(24)23(13-28)26(30-25)35-11-10-20-6-8-21(9-7-20)29-19(3)32/h6-9,17-18H,10-12,14-16H2,1-5H3,(H,29,32)/t17-,18+
Definition date:2015-11-10
Last modified:2016-04-01
Release date:2016-04-06
Identifier:~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide
5QF
5QF
Name:6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Formula:C28 H38 N4 O4 S
SMILES:COCCN1CCN(CC1)c2nc(SCCc3ccc(OC)c(OC)c3)c(C#N)c4CC(C)(C)OCc24
InChi:InChI=1S/C28H38N4O4S/c1-28(2)17-21-22(18-29)27(37-15-8-20-6-7-24(34-4)25(16-20)35-5)30-26(23(21)19-36-28)32-11-9-31(10-12-32)13-14-33-3/h6-7,16H,8-15,17,19H2,1-5H3
Definition date:2015-11-10
Last modified:2016-04-01
Release date:2016-04-06
Identifier:6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
5QG
5QG
Name:3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Formula:C23 H27 N3 O2 S
SMILES:CC1(C)Cc2c(CO1)c(nc(SCCc3ccccc3)c2C#N)N4CCOCC4
InChi:InChI=1S/C23H27N3O2S/c1-23(2)14-18-19(15-24)22(29-13-8-17-6-4-3-5-7-17)25-21(20(18)16-28-23)26-9-11-27-12-10-26/h3-7H,8-14,16H2,1-2H3
Definition date:2015-11-10
Last modified:2016-04-01
Release date:2016-04-06
Identifier:3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
4DD
4DD
Name:(2R)-4-phenylbutan-2-amine
Formula:C10 H15 N
SMILES:C(CCc1ccccc1)(N)C
InChi:InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m1/s1
Definition date:2015-03-04
Last modified:2016-04-01
Release date:2016-04-06
Identifier:(2R)-4-phenylbutan-2-amine
7FA
7FA
Name:methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
Formula:C19 H34 F O2 P
SMILES:C(CCCCC=C/CC=C/CC=C/CCCCC)P(F)(OC)=O
InChi:InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1
Definition date:2011-09-14
Last modified:2016-03-28
Identifier:methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
YS6
YS6
Name:1-pyridin-4-ylthiourea
Formula:C6 H7 N3 S
SMILES:NC(=S)Nc1ccncc1
InChi:InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)
Definition date:2016-03-12
Last modified:2016-03-25
Release date:2016-03-30
Identifier:1-pyridin-4-ylthiourea
80Q
80Q
Name:2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
Formula:C11 H13 F3 N2 O
SMILES:FC(F)(F)c1ccc(OC2CCNCC2)nc1
InChi:InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2
Definition date:2016-03-12
Last modified:2016-03-25
Release date:2016-03-30
Identifier:2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
LNN
LNN
Name:(6-hydroxybiphenyl-3-yl)acetic acid
Formula:C14 H12 O3
SMILES:c1(ccc(CC(O)=O)cc1c2ccccc2)O
InChi:InChI=1S/C14H12O3/c15-13-7-6-10(9-14(16)17)8-12(13)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,16,17)
Definition date:2016-01-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:(6-hydroxybiphenyl-3-yl)acetic acid
LNW
LNW
Name:2,2'-biphenyl-3,5-diyldiacetic acid
Formula:C16 H14 O4
SMILES:C(C(O)=O)c1cc(CC(=O)O)cc(c1)c2ccccc2
InChi:InChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20)
Definition date:2016-01-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:2,2'-biphenyl-3,5-diyldiacetic acid
LNX
LNX
Name:2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid
Formula:C14 H12 O4 S
SMILES:C(C(O)=O)c1cc(cc(c1)c2cccs2)CC(=O)O
InChi:InChI=1S/C14H12O4S/c15-13(16)7-9-4-10(8-14(17)18)6-11(5-9)12-2-1-3-19-12/h1-6H,7-8H2,(H,15,16)(H,17,18)
Definition date:2016-01-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:2,2'-[5-(thiophen-2-yl)benzene-1,3-diyl]diacetic acid
LNY
LNY
Name:2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid
Formula:C17 H14 O5 S
SMILES:C(C(=O)O)c1cc(cc(c1)c2ccc(s2)C#CCO)CC(O)=O
InChi:InChI=1S/C17H14O5S/c18-5-1-2-14-3-4-15(23-14)13-7-11(9-16(19)20)6-12(8-13)10-17(21)22/h3-4,6-8,18H,5,9-10H2,(H,19,20)(H,21,22)
Definition date:2016-01-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:2,2'-{5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]benzene-1,3-diyl}diacetic acid
LNZ
LNZ
Name:5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide
Formula:C17 H17 N O5 S2
SMILES:c1c(C(=O)NS(C)(=O)=O)c(C)cc(c1c2ccc(s2)C#CCO)OC
InChi:InChI=1S/C17H17NO5S2/c1-11-9-15(23-2)14(10-13(11)17(20)18-25(3,21)22)16-7-6-12(24-16)5-4-8-19/h6-7,9-10,19H,8H2,1-3H3,(H,18,20)
Definition date:2016-01-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide
NUK
NUK
Name:thieno[3,2-b]thiophene-5-carboxylic acid
Formula:C7 H4 O2 S2
SMILES:OC(=O)c1sc2ccsc2c1
InChi:InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
Definition date:2016-03-12
Last modified:2016-03-25
Release date:2016-03-30
Identifier:thieno[3,2-b]thiophene-5-carboxylic acid
58Q
58Q
Name:6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:C29 H29 F3 N8 O S
SMILES:c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5n(c(cc5c4C)C#N)Cc6cnnc6)OC
InChi:InChI=1S/C29H29F3N8OS/c1-17-22-7-20(11-33)40(14-18-12-36-37-13-18)25(22)9-26(41-2)24(17)15-39-5-3-19(4-6-39)38-27-23-8-21(10-29(30,31)32)42-28(23)35-16-34-27/h7-9,12-13,16,19H,3-6,10,14-15H2,1-2H3,(H,36,37)(H,34,35,38)
Definition date:2015-08-21
Last modified:2016-03-25
Release date:2016-03-30
Identifier:6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

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