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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1300646
CHEMBL1300646
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14N2O2S

Additional synonyms for CHEMBL1300646 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccc1NC(=O)CN2C(=O)Sc3ccccc23
Standard InChI InChI=1S/C16H14N2O2S/c1-11-6-2-3-7-12(11)17-15(19)10-18-13-8 ...
Download InChI
Standard InChI Key QCIZVEVRDJBWFW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1300646

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 3.01 3 51.1 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
13.61 1.07 2.42 2.42 3 21 0.81

Structural Alerts

There are 1 structural alerts for CHEMBL1300646. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QCIZVEVRDJBWFW-UHFFFAOYSA-N
PubChem SID: 24806404

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1300646



eMolecules 1460540
Mcule MCULE-3059166408
MolPort MolPort-001-583-692
PubChem 706207
ZINC ZINC000000092145

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