AWP

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Summary

Name:1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
Formula:C14 H21 N3 O
Formal charge:0
Molecular weight:247.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.61-cyclohexyl-3-(2-pyridin-4-ylethyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)
InChIKeyInChI1.03XUPGANVQJLTRNJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(NCCc1ccncc1)NC2CCCCC2
SMILESCACTVS3.385O=C(NCCc1ccncc1)NC2CCCCC2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cnccc1CCNC(=O)NC2CCCCC2
SMILESOpenEye OEToolkits2.0.6c1cnccc1CCNC(=O)NC2CCCCC2
170172
PDB entries from 2020-10-21