AXI

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Summary

Name:AXITINIB
Synonyms:N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE
Formula:C22 H18 N4 O S
Formal charge:0
Molecular weight:386.47 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-methyl-2-({3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl}sulfanyl)benzamide
OpenEye OEToolkits1.7.6N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-6-yl]sulfanyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC)c4ccccc4Sc2ccc3c(\C=C\c1ncccc1)nnc3c2
InChIInChI1.03InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
InChIKeyInChI1.03RITAVMQDGBJQJZ-FMIVXFBMSA-N
SMILES_CANONICALCACTVS3.370CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3c2)\C=C\c4ccccn4
SMILESCACTVS3.370CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3c2)C=Cc4ccccn4
SMILES_CANONICALOpenEye OEToolkits1.7.6CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4
SMILESOpenEye OEToolkits1.7.6CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3C=Cc4ccccn4
170383
PDB entries from 2020-10-28