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SummaryGeometryRelated PDB entries

A1JS8

Summary
Name:Cabozantinib
Synonyms:~{N}1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-~{N}1'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
ONIQOQHATWINJY-UHFFFAOYSA-N
Formula:C28 H24 F N3 O5
Formal charge:0
Formula weight:501.506 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-~{N}1'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyInChI1.06ONIQOQHATWINJY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC
SMILESCACTVS3.385COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F
SMILESOpenEye OEToolkits2.0.7COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=O)C4(CC4)C(=O)Nc5ccc(cc5)F

250359

PDB entries from 2026-03-11

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