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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1489293
CHEMBL1489293
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14N2O2S

Additional synonyms for CHEMBL1489293 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2cc3cc(sc3nc2c1)C(=O)NC4CC4
Standard InChI InChI=1S/C16H14N2O2S/c1-20-12-5-2-9-6-10-7-14(15(19)17-11-3- ...
Download InChI
Standard InChI Key NDMBQFWORYJDCB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1489293

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
298.4 298.0776 3.35 3 51.22 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
13.62 4.03 1.76 1.76 3 21 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL1489293. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NDMBQFWORYJDCB-UHFFFAOYSA-N
PubChem SID: 49736315

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1489293



eMolecules 15992618
Mcule MCULE-6485544725
PubChem 4180538

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