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A1JLZ

Summary
Name:2-[4-chloranyl-3-[3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]ethanol
Formula:C23 H18 Cl F3 N2 O2
Formal charge:0
Formula weight:446.849 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[4-chloranyl-3-[3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H18ClF3N2O2/c1-14-10-15(19-13-29(8-9-30)20-6-7-28-22(24)21(19)20)12-18(11-14)31-17-4-2-16(3-5-17)23(25,26)27/h2-7,10-13,30H,8-9H2,1H3
InChIKeyInChI1.06ZSCUPUNDYXWNOA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(Oc2ccc(cc2)C(F)(F)F)cc(c1)c3cn(CCO)c4ccnc(Cl)c34
SMILESCACTVS3.385Cc1cc(Oc2ccc(cc2)C(F)(F)F)cc(c1)c3cn(CCO)c4ccnc(Cl)c34
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c3c(ncc4)Cl)CCO
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1)Oc2ccc(cc2)C(F)(F)F)c3cn(c4c3c(ncc4)Cl)CCO

249697

PDB entries from 2026-02-25

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