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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1494619
CHEMBL1494619
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15N3OS

Additional synonyms for CHEMBL1494619 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(\C=C(/C#N)\C(=O)NCc2cccs2)c(C)[nH]1
Standard InChI InChI=1S/C15H15N3OS/c1-10-6-12(11(2)18-10)7-13(8-16)15(19)17 ...
Download InChI
Standard InChI Key CVFCIOPFGZBXLX-NTUHNPAUSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1494619

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
285.4 285.0936 2.92 4 68.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.67 - 2.28 2.28 2 20 0.67

Structural Alerts

There are 6 structural alerts for CHEMBL1494619. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CVFCIOPFGZBXLX-NTUHNPAUSA-N
PubChem SID: 24808006

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1494619



eMolecules 25826171
PubChem 5767304
ZINC ZINC000013124018

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