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SummaryGeometryRelated PDB entries

7PW

Summary
Name:N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Formula:C32 H22 F3 N5 O2
Formal charge:0
Formula weight:565.545 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
OpenEye OEToolkits2.0.7~{N}-[(1~{R})-1-[2,6-bis(fluoranyl)-4-(4-fluorophenyl)phenyl]-2-imidazol-1-yl-ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)c1cc(F)c(c(F)c1)C(Cn1ccnc1)NC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1
InChIInChI1.03InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1
InChIKeyInChI1.03VZHXYQRJRDRVFA-NDEPHWFRSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1)c2cc(F)c([C@H](Cn3ccnc3)NC(=O)c4ccc(cc4)c5oc(nn5)c6ccccc6)c(F)c2
SMILESCACTVS3.385Fc1ccc(cc1)c2cc(F)c([CH](Cn3ccnc3)NC(=O)c4ccc(cc4)c5oc(nn5)c6ccccc6)c(F)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4ccnc4)c5c(cc(cc5F)c6ccc(cc6)F)F

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PDB entries from 2024-07-10

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