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UUL
UUL
Name:4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
Formula:C15 H11 Cl N2 O S
SMILES:Clc3ccc(c1nc(sc1)Nc2ccc(O)cc2)cc3
InChi:InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
Definition date:2012-10-17
Last modified:2013-04-26
Release date:2013-05-01
Identifier:4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
PZX
PZX
Name:pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate
Formula:C11 H11 N3 O2
SMILES:O=C(OCc1cccnc1)c2nnc(c2)C
InChi:InChI=1S/C11H11N3O2/c1-8-5-10(14-13-8)11(15)16-7-9-3-2-4-12-6-9/h2-6H,7H2,1H3,(H,13,14)
Definition date:2012-12-20
Last modified:2013-04-26
Release date:2013-05-01
Identifier:pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate
WPI
WPI
Name:1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane
Formula:C33 H48 N2 O6
SMILES:O(c1cc(cc(OC)c1OC)C=C/CCCN3CCCN(CCCC=Cc2cc(OC)c(OC)c(OC)c2)CC3)C
InChi:InChI=1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+
Definition date:2012-05-02
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane
VRZ
VRZ
Name:1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
Formula:C25 H26 N6 O
SMILES:O=C(NCc1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5
InChi:InChI=1S/C25H26N6O/c26-23-22-21(15-31(20-8-4-5-9-20)24(22)29-16-28-23)18-10-12-19(13-11-18)30-25(32)27-14-17-6-2-1-3-7-17/h1-3,6-7,10-13,15-16,20H,4-5,8-9,14H2,(H2,26,28,29)(H2,27,30,32)
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-benzylurea
VS0
VS0
Name:N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
Formula:C24 H23 N5 O
SMILES:O=C(c1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5
InChi:InChI=1S/C24H23N5O/c25-22-21-20(14-29(19-8-4-5-9-19)23(21)27-15-26-22)16-10-12-18(13-11-16)28-24(30)17-6-2-1-3-7-17/h1-3,6-7,10-15,19H,4-5,8-9H2,(H,28,30)(H2,25,26,27)
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
VSA
VSA
Name:1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
Formula:C24 H24 N6 O
SMILES:O=C(Nc1ccccc1)Nc5ccc(c3c2c(ncnc2n(c3)C4CCCC4)N)cc5
InChi:InChI=1S/C24H24N6O/c25-22-21-20(14-30(19-8-4-5-9-19)23(21)27-15-26-22)16-10-12-18(13-11-16)29-24(31)28-17-6-2-1-3-7-17/h1-3,6-7,10-15,19H,4-5,8-9H2,(H2,25,26,27)(H2,28,29,31)
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
VSB
VSB
Name:7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C29 H34 N6 O
SMILES:O(c1ccccc1)c2ccc(cc2)c4c3c(ncnc3n(c4)C6CCC(N5CCN(CC5)C)CC6)N
InChi:InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23+
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:7-[cis-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
VSE
VSE
Name:7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C29 H34 N6 O
SMILES:O(c1ccccc1)c2ccc(cc2)c4c3c(ncnc3n(c4)C6CCC(N5CCN(CC5)C)CC6)N
InChi:InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23-
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
VSF
VSF
Name:5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C23 H22 N4 O2
SMILES:O(c1ccccc1)c5ccc(c2cn(c3ncnc(N)c23)C4CCOCC4)cc5
InChi:InChI=1S/C23H22N4O2/c24-22-21-20(14-27(23(21)26-15-25-22)17-10-12-28-13-11-17)16-6-8-19(9-7-16)29-18-4-2-1-3-5-18/h1-9,14-15,17H,10-13H2,(H2,24,25,26)
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
VSG
VSG
Name:7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C24 H25 N5 O
SMILES:O(c1ccccc1)c2ccc(cc2)c4cn(c3ncnc(N)c34)C5CCN(C)CC5
InChi:InChI=1S/C24H25N5O/c1-28-13-11-18(12-14-28)29-15-21(22-23(25)26-16-27-24(22)29)17-7-9-20(10-8-17)30-19-5-3-2-4-6-19/h2-10,15-16,18H,11-14H2,1H3,(H2,25,26,27)
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
VSH
VSH
Name:tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
Formula:C20 H26 N6 O3
SMILES:O=C(OC(C)(C)C)Nc3ccc(c2nn(c1ncnc(c12)N)C(C)C)cc3OC
InChi:InChI=1S/C20H26N6O3/c1-11(2)26-18-15(17(21)22-10-23-18)16(25-26)12-7-8-13(14(9-12)28-6)24-19(27)29-20(3,4)5/h7-11H,1-6H3,(H,24,27)(H2,21,22,23)
Definition date:2012-05-28
Last modified:2013-04-26
Release date:2013-05-01
Identifier:tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
SFK
SFK
Name:N-(4-methylpentanoyl)-L-phenylalanine
Formula:C15 H21 N O3
SMILES:O=C(O)C(NC(=O)CCC(C)C)Cc1ccccc1
InChi:InChI=1S/C15H21NO3/c1-11(2)8-9-14(17)16-13(15(18)19)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
Definition date:2013-04-15
Last modified:2013-04-26
Release date:2013-05-01
Identifier:N-(4-methylpentanoyl)-L-phenylalanine
0SO
0SO
Name:tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
Formula:C23 H35 N5 O3
SMILES:O=C(OC(C)(C)C)NCCCNC(=O)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C
InChi:InChI=1S/C23H35N5O3/c1-16-9-11-17(12-10-16)28-19(15-18(27-28)22(2,3)4)26-20(29)24-13-8-14-25-21(30)31-23(5,6)7/h9-12,15H,8,13-14H2,1-7H3,(H,25,30)(H2,24,26,29)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate
0SQ
0SQ
Name:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
Formula:C15 H20 N4 O
SMILES:O=C(N)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C
InChi:InChI=1S/C15H20N4O/c1-10-5-7-11(8-6-10)19-13(17-14(16)20)9-12(18-19)15(2,3)4/h5-9H,1-4H3,(H3,16,17,20)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
0SR
0SR
Name:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea
Formula:C22 H33 N5 O2
SMILES:O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)NCCCN3CCOCC3
InChi:InChI=1S/C22H33N5O2/c1-17-6-8-18(9-7-17)27-20(16-19(25-27)22(2,3)4)24-21(28)23-10-5-11-26-12-14-29-15-13-26/h6-9,16H,5,10-15H2,1-4H3,(H2,23,24,28)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea
0SS
0SS
Name:N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide
Formula:C36 H49 N9 O2
SMILES:O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)NCCN5CCN(C(=O)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C)CC5
InChi:InChI=1S/C36H49N9O2/c1-25-9-13-27(14-10-25)44-31(23-29(40-44)35(3,4)5)38-33(46)37-17-18-42-19-21-43(22-20-42)34(47)39-32-24-30(36(6,7)8)41-45(32)28-15-11-26(2)12-16-28/h9-16,23-24H,17-22H2,1-8H3,(H,39,47)(H2,37,38,46)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide
0ST
0ST
Name:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea
Formula:C21 H31 N5 O2
SMILES:O=C(NCCN1CCOCC1)Nc3cc(nn3c2ccc(cc2)C)C(C)(C)C
InChi:InChI=1S/C21H31N5O2/c1-16-5-7-17(8-6-16)26-19(15-18(24-26)21(2,3)4)23-20(27)22-9-10-25-11-13-28-14-12-25/h5-8,15H,9-14H2,1-4H3,(H2,22,23,27)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea
0SU
0SU
Name:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
Formula:C17 H24 N4 O2
SMILES:O=C(NCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C
InChi:InChI=1S/C17H24N4O2/c1-12-5-7-13(8-6-12)21-15(19-16(23)18-9-10-22)11-14(20-21)17(2,3)4/h5-8,11,22H,9-10H2,1-4H3,(H2,18,19,23)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea
0SV
0SV
Name:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea
Formula:C20 H30 N4 O2
SMILES:O=C(NCCCCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C
InChi:InChI=1S/C20H30N4O2/c1-15-8-10-16(11-9-15)24-18(14-17(23-24)20(2,3)4)22-19(26)21-12-6-5-7-13-25/h8-11,14,25H,5-7,12-13H2,1-4H3,(H2,21,22,26)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea
0SW
0SW
Name:N-(2-phenylethyl)quinazolin-4-amine
Formula:C16 H15 N3
SMILES:n2c1c(cccc1)c(nc2)NCCc3ccccc3
InChi:InChI=1S/C16H15N3/c1-2-6-13(7-3-1)10-11-17-16-14-8-4-5-9-15(14)18-12-19-16/h1-9,12H,10-11H2,(H,17,18,19)
Definition date:2012-05-24
Last modified:2013-04-26
Release date:2013-05-01
Identifier:N-(2-phenylethyl)quinazolin-4-amine
10K
10K
Name:N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
Formula:C18 H17 N3 O S
SMILES:O=C(Nc1cc(nn1)C2CC2)Cc4ccc(c3sccc3)cc4
InChi:InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
Definition date:2011-04-05
Last modified:2013-04-26
Release date:2013-05-01
Identifier:N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-[4-(thiophen-2-yl)phenyl]acetamide
LF0
LF0
Name:(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
Formula:C25 H27 N O4
SMILES:O=C(O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCCc2c3)C
InChi:InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)/t23-/m0/s1
Definition date:2012-12-21
Last modified:2013-04-26
Release date:2013-05-01
Identifier:(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
LF2
LF2
Name:(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid
Formula:C22 H21 Br Cl N O3
SMILES:O=C(O)C(OC(C)(C)C)c1c(c2cc(Br)ccc2nc1C)c3ccc(Cl)cc3
InChi:InChI=1S/C22H21BrClNO3/c1-12-18(20(21(26)27)28-22(2,3)4)19(13-5-8-15(24)9-6-13)16-11-14(23)7-10-17(16)25-12/h5-11,20H,1-4H3,(H,26,27)/t20-/m0/s1
Definition date:2012-09-06
Last modified:2013-04-26
Release date:2013-05-01
Identifier:(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid
1ED
1ED
Name:(3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione
Formula:C18 H18 N2 O3
SMILES:O=C1NC(C(=O)NC1Cc2ccccc2)Cc3ccc(O)cc3
InChi:InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1
Definition date:2013-01-02
Last modified:2013-04-26
Release date:2013-05-01
Identifier:(3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione
1G4
1G4
Name:(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one
Formula:C18 H20 N2 O3
SMILES:O=C2NC(Cc1ccc(O)cc1)CNC2Cc3ccc(O)cc3
InChi:InChI=1S/C18H20N2O3/c21-15-5-1-12(2-6-15)9-14-11-19-17(18(23)20-14)10-13-3-7-16(22)8-4-13/h1-8,14,17,19,21-22H,9-11H2,(H,20,23)/t14-,17-/m0/s1
Definition date:2013-01-22
Last modified:2013-04-26
Release date:2013-05-01
Identifier:(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one

223532

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