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SummaryGeometryRelated PDB entries

7WW

Summary
Name:[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-oxidanylpyrrolidin-1-yl]methanone
Formula:C21 H20 Cl N3 O3
Formal charge:0
Formula weight:397.855 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[5-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-[(3~{R})-3-oxidanylpyrrolidin-1-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H20ClN3O3/c1-28-16-8-6-14(7-9-16)25-20(17-4-2-3-5-18(17)22)12-19(23-25)21(27)24-11-10-15(26)13-24/h2-9,12,15,26H,10-11,13H2,1H3/t15-/m1/s1
InChIKeyInChI1.06FNYOTLRUGRQFLT-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)n2nc(cc2c3ccccc3Cl)C(=O)N4CC[C@@H](O)C4
SMILESCACTVS3.385COc1ccc(cc1)n2nc(cc2c3ccccc3Cl)C(=O)N4CC[CH](O)C4
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1)n2c(cc(n2)C(=O)N3CC[C@H](C3)O)c4ccccc4Cl
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1)n2c(cc(n2)C(=O)N3CCC(C3)O)c4ccccc4Cl

248942

PDB entries from 2026-02-11

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