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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1577403
CHEMBL1577403
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H16ClN3S

Additional synonyms for CHEMBL1577403 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)C(=Nc2ccc(Cl)cc2)S
Standard InChI InChI=1S/C12H16ClN3S/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10( ...
Download InChI
Standard InChI Key FSEKXQJZLXEYGA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1577403

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
269.8 269.0753 3.06 2 57.64 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.42 2.61 .2 1 17 0.51

Structural Alerts

There are 8 structural alerts for CHEMBL1577403. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FSEKXQJZLXEYGA-UHFFFAOYSA-N
PubChem SID: 24787555

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1577403



eMolecules 2146369
Mcule MCULE-2570012181
MolPort MolPort-001-640-215
PubChem 840572
SureChEMBL SCHEMBL14119932
ZINC ZINC000013519372

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