ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1307305
CHEMBL1307305
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H13ClN2OS

Additional synonyms for CHEMBL1307305 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(CSc2oc(\C=C\c3ccccc3)nn2)cc1
Standard InChI InChI=1S/C17H13ClN2OS/c18-15-9-6-14(7-10-15)12-22-17-20-19-1 ...
Download InChI
Standard InChI Key QOCQVHCUURVWIN-DHZHZOJOSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1307305

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
328.8 328.0437 5.19 5 38.92 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.4 5.4 3 22 0.6

Structural Alerts

There are 2 structural alerts for CHEMBL1307305. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QOCQVHCUURVWIN-DHZHZOJOSA-N
PubChem SID: 17410101

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1307305



eMolecules 27482805
MolPort MolPort-002-869-702
PubChem 5913783
ZINC ZINC000006222602

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