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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570501
CHEMBL1570501
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15N3S

Additional synonyms for CHEMBL1570501 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc2cc(NCc3cccs3)ccc2n1C
Standard InChI InChI=1S/C14H15N3S/c1-10-16-13-8-11(5-6-14(13)17(10)2)15-9-1 ...
Download InChI
Standard InChI Key FYIIBIPOTHDWIV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570501

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
257.4 257.0987 3.56 3 29.85 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.8 2.59 2.42 3 18 0.78

Structural Alerts

There are no structural alerts for CHEMBL1570501

Compound Cross References

ChemSpider ChemSpider:FYIIBIPOTHDWIV-UHFFFAOYSA-N
PubChem SID: 24808812

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570501



eMolecules 1462013
Mcule MCULE-5963852589
MolPort MolPort-001-999-791
PubChem 939838
ZINC ZINC000000535352

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