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0C0

Summary
Name:4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
Formula:C23 H18 N4 O2
Formal charge:0
Formula weight:382.415 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid
OpenEye OEToolkits1.7.64-[[4-[(2-phenylphenyl)amino]pyrimidin-2-yl]amino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccc(cc1)Nc2nc(ccn2)Nc4ccccc4c3ccccc3
InChIInChI1.03InChI=1S/C23H18N4O2/c28-22(29)17-10-12-18(13-11-17)25-23-24-15-14-21(27-23)26-20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-15H,(H,28,29)(H2,24,25,26,27)
InChIKeyInChI1.03RSUKUXYTJJCQKG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc(Nc2nccc(Nc3ccccc3c4ccccc4)n2)cc1
SMILESCACTVS3.370OC(=O)c1ccc(Nc2nccc(Nc3ccccc3c4ccccc4)n2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O

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數據於2024-11-06公開中

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