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CQQ

Summary
Name:4-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
Formula:C28 H29 N7 O2
Formal charge:0
Formula weight:495.576 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[4-(dimethylamino)butanoyl]amino}-N-(3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
OpenEye OEToolkits1.7.64-[4-(dimethylamino)butanoylamino]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc(cc1)C(=O)Nc4cc(Nc2nc(ccn2)c3cccnc3)ccc4)CCCN(C)C
InChIInChI1.03InChI=1S/C28H29N7O2/c1-35(2)17-5-9-26(36)31-22-12-10-20(11-13-22)27(37)32-23-7-3-8-24(18-23)33-28-30-16-14-25(34-28)21-6-4-15-29-19-21/h3-4,6-8,10-16,18-19H,5,9,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)
InChIKeyInChI1.03UHHXMHJPSLUZFX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3nccc(n3)c4cccnc4)c2
SMILESCACTVS3.370CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(Nc3nccc(n3)c4cccnc4)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4
SMILESOpenEye OEToolkits1.7.6CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3nccc(n3)c4cccnc4

217705

PDB entries from 2024-03-27

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