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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1573000
CHEMBL1573000
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H12ClN3OS

Additional synonyms for CHEMBL1573000 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccccc1CC2SC(=NC2=O)Nc3ccccn3
Standard InChI InChI=1S/C15H12ClN3OS/c16-11-6-2-1-5-10(11)9-12-14(20)19-15( ...
Download InChI
Standard InChI Key MGMLJWRFAOCMIV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1573000

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
317.8 317.039 3.39 3 54.35 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.02 4.03 4.03 2 21 0.94

Structural Alerts

There are no structural alerts for CHEMBL1573000

Compound Cross References

ChemSpider ChemSpider:MGMLJWRFAOCMIV-UHFFFAOYSA-N
PubChem SID: 26662019

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1573000



eMolecules 1023701
Mcule MCULE-5051141339
MolPort MolPort-000-649-767 MolPort-044-564-958
PubChem 3115602

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