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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1496901
CHEMBL1496901
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14ClN3OS

Additional synonyms for CHEMBL1496901 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C1=Nc2scc(c3ccc(Cl)cc3)c2C(=O)N1N
Standard InChI InChI=1S/C15H14ClN3OS/c1-8(2)13-18-14-12(15(20)19(13)17)11(7 ...
Download InChI
Standard InChI Key RFRSNPNFAVILGX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1496901

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
319.8 319.0546 3.62 2 60.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.72 3.72 3 21 0.73

Structural Alerts

There are 3 structural alerts for CHEMBL1496901. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RFRSNPNFAVILGX-UHFFFAOYSA-N
PubChem SID: 26658949

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1496901



eMolecules 4407054
Mcule MCULE-8993422983
MolPort MolPort-002-553-936
PubChem 916151
ZINC ZINC000000502225

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