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SummaryGeometryRelated PDB entries

9M7

Summary
Name:N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
Formula:C23 H28 Cl2 N2 O2
Formal charge:0
Formula weight:435.387 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,N-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
OpenEye OEToolkits2.0.6~{N},~{N}-dicyclohexyl-3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(C(c1c(C)onc1c2ccc(Cl)cc2Cl)=O)(C3CCCCC3)C4CCCCC4
InChIInChI1.03InChI=1S/C23H28Cl2N2O2/c1-15-21(22(26-29-15)19-13-12-16(24)14-20(19)25)23(28)27(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-14,17-18H,2-11H2,1H3
InChIKeyInChI1.03SFPRPAWSWIQRDL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1onc(c2ccc(Cl)cc2Cl)c1C(=O)N(C3CCCCC3)C4CCCCC4
SMILESCACTVS3.385Cc1onc(c2ccc(Cl)cc2Cl)c1C(=O)N(C3CCCCC3)C4CCCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4
SMILESOpenEye OEToolkits2.0.6Cc1c(c(no1)c2ccc(cc2Cl)Cl)C(=O)N(C3CCCCC3)C4CCCCC4

218853

PDB entries from 2024-04-24

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