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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1496275
CHEMBL1496275
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16ClN3S

Additional synonyms for CHEMBL1496275 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Cl)cc1N=C(S)NCc2cccn2C
Standard InChI InChI=1S/C14H16ClN3S/c1-10-5-6-11(15)8-13(10)17-14(19)16-9-1 ...
Download InChI
Standard InChI Key DUEUGUALDSETON-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1496275

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
293.8 293.0753 3.69 3 29.32 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.52 12.51 4.09 1.59 2 19 0.5

Structural Alerts

There are 8 structural alerts for CHEMBL1496275. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DUEUGUALDSETON-UHFFFAOYSA-N
PubChem SID: 17511288

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1496275



eMolecules 24444348
Mcule MCULE-6955562050
MolPort MolPort-007-938-457
PubChem 4294047
ZINC ZINC000008683062

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