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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354676
CHEMBL354676
Compound Name DIPHENYLUREA
ChEMBL Synonyms 1,3-Diphenylurea | 1,3-Diphenyl-Urea
Max Phase 0
Trade Names
Molecular Formula C13H12N2O

Additional synonyms for CHEMBL354676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1ccccc1)Nc2ccccc2
Standard InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-1 ...
Download InChI
Standard InChI Key GWEHVDNNLFDJLR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL354676

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
212.3 212.095 3.33 2 41.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .5 3.02 3.02 2 16 0.79

Structural Alerts

There are no structural alerts for CHEMBL354676

Compound Cross References

ChemSpider ChemSpider:GWEHVDNNLFDJLR-UHFFFAOYSA-N
PubChem SID: 103904380 SID: 103904397 SID: 144207266 SID: 17389030 SID: 26747341 SID: 93576666

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL354676



ACToR 102-07-8
BindingDB 25725
Brenda 201314
ChEBI 41320
ChemicalBook CB2451426
DrugBank DB07496
eMolecules 481632
EPA CompTox Dashboard DTXSID2025183
FDA SRS 94YD8RMX5B
Human Metabolome Database HMDB0032066
IBM Patent System 475993207DD12BE1ED8B03DFCACEB71B
Mcule MCULE-4684667909
Metabolights MTBLC41320
MolPort MolPort-000-393-991
Nikkaji J5.003B
NMRShiftDB 20096830
PDBe BSU
PubChem 7595
PubChem: Thomson Pharma 15121224
SureChEMBL SCHEMBL133103
ZINC ZINC000012416741

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GWEHVDNNLFDJLR-UHFFFAOYSA-N spacer
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