CZK

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Summary

Name:(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
Formula:C22 H31 N3 O4
Formal charge:0
Molecular weight:401.499 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H31N3O4/c1-27-21-7-6-17(14-22(21)29-19-4-2-3-5-19)20-8-9-25(23-20)16-18(26)15-24-10-12-28-13-11-24/h6-9,14,18-19,26H,2-5,10-13,15-16H2,1H3/t18-/m0/s1
InChIKeyInChI1.03LCRSUTYGKNCDER-SFHVURJKSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1OC2CCCC2)c3ccn(C[C@@H](O)CN4CCOCC4)n3
SMILESCACTVS3.385COc1ccc(cc1OC2CCCC2)c3ccn(C[CH](O)CN4CCOCC4)n3
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1OC2CCCC2)c3ccn(n3)CC(CN4CCOCC4)O
167518
PDB entries from 2020-08-12