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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275260
CHEMBL275260
Compound Name
ChEMBL Synonyms 1,3-Diphenyl-Thiourea | 1,3-Diphenylthiourea
Max Phase 0
Trade Names
Molecular Formula C13H12N2S

Additional synonyms for CHEMBL275260 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES S=C(Nc1ccccc1)Nc2ccccc2
Standard InChI InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-1 ...
Download InChI
Standard InChI Key FCSHMCFRCYZTRQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL275260

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
228.3 228.0721 4.37 4 56.15 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.68 - 2.17 2.17 2 16 0.75

Structural Alerts

There are 5 structural alerts for CHEMBL275260. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FCSHMCFRCYZTRQ-UHFFFAOYSA-N
PubChem SID: 144207467 SID: 17388694
Wikipedia Thiocarbanilide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275260



ACToR 102-08-9
BindingDB 50356174
Brenda 107352
ChEBI 138412
eMolecules 594771
EPA CompTox Dashboard DTXSID4026139
FDA SRS 9YCB5VR86Z
IBM Patent System ED191AC0826511C53626B589C245C092
Mcule MCULE-8751953513
MolPort MolPort-000-894-333
Nikkaji J64.497H
NMRShiftDB 75000
PubChem 700999
PubChem: Thomson Pharma 14773760
SureChEMBL SCHEMBL132620
ZINC ZINC000003874019

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