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456
456
Name:N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
Formula:C13 H15 N5 O2 S
SMILES:O=C(Nc1nc3c(s1)CN(c2nc(OC)cnc2)CC3)C
InChi:InChI=1S/C13H15N5O2S/c1-8(19)15-13-16-9-3-4-18(7-10(9)21-13)11-5-14-6-12(17-11)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,16,19)
Definition date:2015-02-06
Last modified:2016-01-29
Release date:2016-02-03
Identifier:N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
4B1
4B1
Name:N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide
Formula:C30 H29 N5 O8 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc([N+]([O-])=O)cc2)CNC3)Cc4ccccc4)c5cc([N+]([O-])=O)ccc5
InChi:InChI=1S/C30H29N5O8S2/c36-34(37)25-14-16-27(17-15-25)44(40,41)32(21-23-8-3-1-4-9-23)29-19-31-20-30(29)33(22-24-10-5-2-6-11-24)45(42,43)28-13-7-12-26(18-28)35(38)39/h1-18,29-31H,19-22H2/t29-,30-/m0/s1
Definition date:2015-02-23
Last modified:2016-01-29
Release date:2016-02-03
Identifier:N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide
4J8
4J8
Name:4-methylbenzenesulfonamide
Formula:C7 H9 N O2 S
SMILES:c1(ccc(S(=O)(=O)N)cc1)C
InChi:InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
Definition date:2015-03-23
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-methylbenzenesulfonamide
4JC
4JC
Name:4-ethylbenzenesulfonamide
Formula:C8 H11 N O2 S
SMILES:O=S(N)(=O)c1ccc(cc1)CC
InChi:InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
Definition date:2015-03-23
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-ethylbenzenesulfonamide
4JE
4JE
Name:4-propylbenzenesulfonamide
Formula:C9 H13 N O2 S
SMILES:C(Cc1ccc(cc1)S(=O)(=O)N)C
InChi:InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
Definition date:2015-03-23
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-propylbenzenesulfonamide
4JX
4JX
Name:N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:C19 H24 N4 O2
SMILES:Cc5cc(C)n1c(c(cn1)C(NC2C4CC3CC(CC2C3)(C4)O)=O)n5
InChi:InChI=1S/C19H24N4O2/c1-10-3-11(2)23-17(21-10)15(9-20-23)18(24)22-16-13-4-12-5-14(16)8-19(25,6-12)7-13/h3,9,12-14,16,25H,4-8H2,1-2H3,(H,22,24)/t12-,13-,14+,16-,19-
Definition date:2015-03-24
Last modified:2016-01-29
Release date:2016-02-03
Identifier:N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
4LO
4LO
Name:N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Formula:C30 H39 N7 O3 S
SMILES:CC(C)Oc1c(cc(C)c(c1)C2CCN(C)CC2)Nc5nc(Nc3c(cccc3)S(=O)(=O)C(C)C)c4cnnc4n5
InChi:InChI=1S/C30H39N7O3S/c1-18(2)40-26-16-22(21-11-13-37(6)14-12-21)20(5)15-25(26)33-30-34-28(23-17-31-36-29(23)35-30)32-24-9-7-8-10-27(24)41(38,39)19(3)4/h7-10,15-19,21H,11-14H2,1-6H3,(H3,31,32,33,34,35,36)
Definition date:2015-04-12
Last modified:2016-01-29
Release date:2016-02-03
Identifier:N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
4QJ
4QJ
Name:(11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
Formula:C29 H26 F N7 O
SMILES:CN1C(=O)c2c(Nc3ccccc3)n(Cc4ccc(cc4)c5cccc(F)n5)nc2N6[CH]7CCC[CH]7N=C16
InChi:InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
Definition date:2016-01-13
Last modified:2016-01-29
Release date:2016-02-03
4XR
4XR
Name:(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol
Formula:C6 H12 N2 O2
SMILES:OC1C(N)CC=C(O1)CN
InChi:InChI=1S/C6H12N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1,5-6,9H,2-3,7-8H2/t5-,6+/m1/s1
Definition date:2015-06-18
Last modified:2016-01-29
Release date:2016-02-03
Identifier:(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol
54X
54X
Name:5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one
Formula:C10 H6 N2 O S2
SMILES:O=C1N=CNc2scc(c12)c3cccs3
InChi:InChI=1S/C10H6N2OS2/c13-9-8-6(7-2-1-3-14-7)4-15-10(8)12-5-11-9/h1-5H,(H,11,12,13)
Definition date:2015-07-24
Last modified:2016-01-29
Release date:2016-02-03
Identifier:5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one
55D
55D
Name:2-(butanoylamino)thiophene-3-carboxamide
Formula:C9 H12 N2 O2 S
SMILES:O=C(CCC)Nc1sccc1C(N)=O
InChi:InChI=1S/C9H12N2O2S/c1-2-3-7(12)11-9-6(8(10)13)4-5-14-9/h4-5H,2-3H2,1H3,(H2,10,13)(H,11,12)
Definition date:2015-07-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:2-(butanoylamino)thiophene-3-carboxamide
55G
55G
Name:4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Formula:C20 H13 N5 O S
SMILES:O=C1Nc5c(C(=C1)c2ccccc2)c(c3cnc(s3)c4cnccc4)nn5
InChi:InChI=1S/C20H13N5OS/c26-16-9-14(12-5-2-1-3-6-12)17-18(24-25-19(17)23-16)15-11-22-20(27-15)13-7-4-8-21-10-13/h1-11H,(H2,23,24,25,26)
Definition date:2015-07-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
55H
55H
Name:3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Formula:C14 H9 N5 O S
SMILES:O=C1Nc4c(C=C1)c(c3sc(c2cnccc2)nc3)nn4
InChi:InChI=1S/C14H9N5OS/c20-11-4-3-9-12(18-19-13(9)17-11)10-7-16-14(21-10)8-2-1-5-15-6-8/h1-7H,(H2,17,18,19,20)
Definition date:2015-07-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
5NE
5NE
Name:5-methylnaphthalene-1-carboxylic acid
Formula:C12 H10 O2
SMILES:O=C(O)c1cccc2c1cccc2C
InChi:InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
Definition date:2016-01-18
Last modified:2016-01-29
Release date:2016-02-03
Identifier:5-methylnaphthalene-1-carboxylic acid
65K
65K
Name:4-carbamimidoylbenzoic acid
Formula:C8 H8 N2 O2
SMILES:C(c1ccc(/C(N)=N)cc1)(=O)O
InChi:InChI=1S/C8H8N2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H3,9,10)(H,11,12)
Definition date:2016-01-27
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-carbamimidoylbenzoic acid
5NR
5NR
Name:2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
Formula:C14 H22 N2
SMILES:NCCN1CCC(CC1)Cc2ccccc2
InChi:InChI=1S/C14H22N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
Definition date:2015-10-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:2-[4-(phenylmethyl)piperidin-1-yl]ethanamine
5T0
5T0
Name:3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
Formula:C20 H31 N3 O
SMILES:CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3
InChi:InChI=1S/C20H31N3O/c1-21-16-18-4-7-19(8-5-18)22-14-10-17(11-15-22)6-9-20(24)23-12-2-3-13-23/h4-5,7-8,17,21H,2-3,6,9-16H2,1H3
Definition date:2015-11-25
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one
5T4
5T4
Name:~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
Formula:C15 H23 N5 O
SMILES:O=C(NCC1CCN(CC1)c2ncccn2)N3CCCC3
InChi:InChI=1S/C15H23N5O/c21-15(20-8-1-2-9-20)18-12-13-4-10-19(11-5-13)14-16-6-3-7-17-14/h3,6-7,13H,1-2,4-5,8-12H2,(H,18,21)
Definition date:2015-11-26
Last modified:2016-01-29
Release date:2016-02-03
Identifier:~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
5TB
5TB
Name:3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
Formula:C20 H31 N3 O
SMILES:CNCc1ccc(cc1)N2CCCN(C2)C(=O)CCC3CCCC3
InChi:InChI=1S/C20H31N3O/c1-21-15-18-7-10-19(11-8-18)22-13-4-14-23(16-22)20(24)12-9-17-5-2-3-6-17/h7-8,10-11,17,21H,2-6,9,12-16H2,1H3
Definition date:2015-11-27
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one
5TC
5TC
Name:3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide
Formula:C27 H34 N4 O
SMILES:O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)NCc3ccc(cc3)N4CCCCC4
InChi:InChI=1S/C27H34N4O/c28-20-23-4-9-26(10-5-23)31-18-14-22(15-19-31)8-13-27(32)29-21-24-6-11-25(12-7-24)30-16-2-1-3-17-30/h4-7,9-12,22H,1-3,8,13-19,21H2,(H,29,32)
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide
5TD
5TD
Name:4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
Formula:C19 H25 N3 O
SMILES:O=C(CCC1CCN(CC1)c2ccc(cc2)C#N)N3CCCC3
InChi:InChI=1S/C19H25N3O/c20-15-17-3-6-18(7-4-17)21-13-9-16(10-14-21)5-8-19(23)22-11-1-2-12-22/h3-4,6-7,16H,1-2,5,8-14H2
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile
5TE
5TE
Name:3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide
Formula:C19 H28 N2 O
SMILES:O=C(CCC1CCCC1)Nc2cccc(c2)N3CCCCC3
InChi:InChI=1S/C19H28N2O/c22-19(12-11-16-7-2-3-8-16)20-17-9-6-10-18(15-17)21-13-4-1-5-14-21/h6,9-10,15-16H,1-5,7-8,11-14H2,(H,20,22)
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide
5TG
5TG
Name:~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
Formula:C25 H39 N3 O3
SMILES:CN(Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3)C(=O)OC(C)(C)C
InChi:InChI=1S/C25H39N3O3/c1-25(2,3)31-24(30)26(4)19-21-7-10-22(11-8-21)27-17-13-20(14-18-27)9-12-23(29)28-15-5-6-16-28/h7-8,10-11,20H,5-6,9,12-19H2,1-4H3
Definition date:2015-11-28
Last modified:2016-01-29
Release date:2016-02-03
Identifier:~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
5TO
5TO
Name:3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
Formula:C12 H21 N O
SMILES:O=C(CCC1CCCC1)N2CCCC2
InChi:InChI=1S/C12H21NO/c14-12(13-9-3-4-10-13)8-7-11-5-1-2-6-11/h11H,1-10H2
Definition date:2015-11-30
Last modified:2016-01-29
Release date:2016-02-03
Identifier:3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one
5TT
5TT
Name:~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
Formula:C13 H20 N2
SMILES:CNCc1ccc(cc1)N2CCCCC2
InChi:InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
Definition date:2015-12-01
Last modified:2016-01-29
Release date:2016-02-03
Identifier:~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine

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