BSU

1,3-DIPHENYLUREA

Created: 2001-05-22
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count12
2D diagram of BSU
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Chemical Component Summary

Name1,3-DIPHENYLUREA
SynonymsDIPHENYLCARBAMIDE
Systematic Name (OpenEye OEToolkits)1,3-diphenylurea
FormulaC13 H12 N2 O
Molecular Weight212.247
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(Nc1ccccc1)Nc2ccccc2
SMILESCACTVS3.341O=C(Nc1ccccc1)Nc2ccccc2
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)NC(=O)Nc2ccccc2
Canonical SMILESCACTVS3.341 O=C(Nc1ccccc1)Nc2ccccc2
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)NC(=O)Nc2ccccc2
InChIInChI1.03 InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChIKeyInChI1.03 GWEHVDNNLFDJLR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07496 
Name1,3-diphenylurea
Groups experimental
Synonyms
  • Diphenylcarbamide
  • N,N'-diphenylurea
  • Diphenylurea
  • 1,3-diphenylurea
  • sym-diphenylurea
CAS number102-07-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Epoxide hydrolaseMSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPAL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL354676
PubChem 7595
ChEMBL CHEMBL354676
ChEBI CHEBI:41320
CCDC/CSD DPUREA07, DPUREA13, DPUREA04, DPUREA11, DPUREA09, CEJDON, ISIQUY, DPUREA15, DPUREA03, FAXBAJ, DPUREA, YAHXIR, DPUREA02, FAXBIR, DPUREA14, DPUREA12, KUWHIT, DPUREA10, DPUREA16, DPUREA05, YAHZUF, UDEKIZ, DPUREA08, DPUREA06, ALURAC, QAZXUK, CAVXAC, DPUREA18
COD 1553614, 7226481, 1520178, 4125270, 7109689