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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2004153
CHEMBL2004153
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10N2OS

Additional synonyms for CHEMBL2004153 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1N2C(=Nc3ccccc13)CSc4ccccc24
Standard InChI InChI=1S/C15H10N2OS/c18-15-10-5-1-2-6-11(10)16-14-9-19-13-8- ...
Download InChI
Standard InChI Key BEKWDOZRQNHBNX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2004153

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
266.3 266.0514 2.99 0 34.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.72 1.72 3 19 0.63

Structural Alerts

There are no structural alerts for CHEMBL2004153

Compound Cross References

ChemSpider ChemSpider:BEKWDOZRQNHBNX-UHFFFAOYSA-N
PubChem SID: 501677

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2004153



PubChem 370488
ZINC ZINC000001628908

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