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K9V

Summary
Name:N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
Formula:C23 H28 F2 N2 O2
Formal charge:0
Formula weight:402.477 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
OpenEye OEToolkits2.0.61-[4-[[2,6-bis(fluoranyl)phenyl]methoxy]cyclohexyl]-3-(3-phenylpropyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3ccc(CCCNC(=O)NC1CCC(CC1)OCc2c(F)cccc2F)cc3
InChIInChI1.03InChI=1S/C23H28F2N2O2/c24-21-9-4-10-22(25)20(21)16-29-19-13-11-18(12-14-19)27-23(28)26-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18-19H,5,8,11-16H2,(H2,26,27,28)/t18-,19+
InChIKeyInChI1.03YXIUOVJEXYHABJ-KDURUIRLSA-N
SMILES_CANONICALCACTVS3.385Fc1cccc(F)c1CO[C@@H]2CC[C@@H](CC2)NC(=O)NCCCc3ccccc3
SMILESCACTVS3.385Fc1cccc(F)c1CO[CH]2CC[CH](CC2)NC(=O)NCCCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F

217705

PDB entries from 2024-03-27

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