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U3M

Summary
Name:3-quinolin-6-yl-5-quinolin-7-yl-benzoic acid
Formula:C25 H16 N2 O2
Formal charge:0
Formula weight:376.407 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-quinolin-6-yl-5-quinolin-7-yl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29)
InChIKeyInChI1.03OROXLWZECIFWHN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(cc(c1)c2ccc3cccnc3c2)c4ccc5ncccc5c4
SMILESCACTVS3.385OC(=O)c1cc(cc(c1)c2ccc3cccnc3c2)c4ccc5ncccc5c4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5
SMILESOpenEye OEToolkits2.0.6c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5

222415

PDB entries from 2024-07-10

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