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AV9

Summary
Name:TIVOZANIB
Synonyms:1-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea
Formula:C22 H19 Cl N4 O5
Formal charge:0
Formula weight:454.863 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{2-chloro-4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}-3-[(3E)-5-methylisoxazol-3(2H)-ylidene]urea
OpenEye OEToolkits1.7.6(3E)-1-[2-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]-3-(5-methyl-1,2-oxazol-3-ylidene)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(\N=C1/C=C(ON1)C)Nc4ccc(Oc2c3cc(OC)c(OC)cc3ncc2)cc4Cl
InChIInChI1.03InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)
InChIKeyInChI1.03SPMVMDHWKHCIDT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cc2nccc(Oc3ccc(NC(=O)N=C4NOC(=C4)C)c(Cl)c3)c2cc1OC
SMILESCACTVS3.370COc1cc2nccc(Oc3ccc(NC(=O)N=C4NOC(=C4)C)c(Cl)c3)c2cc1OC
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=C/C(=N\C(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1
SMILESOpenEye OEToolkits1.7.6CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1

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PDB entries from 2024-06-05

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