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7JP

Summary
Name:6-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
Synonyms:6-(4-fluorophenyl)-8-hydroxy-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one
Formula:C26 H23 F N4 O2
Formal charge:0
Formula weight:442.485 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.66-(4-fluorophenyl)-8-oxidanyl-3-(5-pyrrolo[3,2-c]pyridin-1-ylpentyl)quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C26H23FN4O2/c27-21-6-4-18(5-7-21)20-14-22-25(24(32)15-20)29-17-31(26(22)33)12-3-1-2-11-30-13-9-19-16-28-10-8-23(19)30/h4-10,13-17,32H,1-3,11-12H2
InChIKeyInChI1.03GPNCJRAIQDHNTC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5
SMILESCACTVS3.385Oc1cc(cc2C(=O)N(CCCCCn3ccc4cnccc34)C=Nc12)c5ccc(F)cc5
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2cc3c(c(c2)O)N=CN(C3=O)CCCCCn4ccc5c4ccnc5)F

223532

PDB entries from 2024-08-07

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