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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1523376
CHEMBL1523376
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14ClN3O

Additional synonyms for CHEMBL1523376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N(c1ccc(Cl)cc1)c2nc(C)cc(C)c2C#N
Standard InChI InChI=1S/C16H14ClN3O/c1-10-8-11(2)19-16(15(10)9-18)20(12(3)2 ...
Download InChI
Standard InChI Key SUFKSCDLXROBJB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1523376

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
299.8 299.0825 3.91 2 56.99 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .04 3.38 3.38 2 21 0.84

Structural Alerts

There are no structural alerts for CHEMBL1523376

Compound Cross References

ChemSpider ChemSpider:SUFKSCDLXROBJB-UHFFFAOYSA-N
PubChem SID: 24802479

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1523376



eMolecules 1296255
Mcule MCULE-5461052072
MolPort MolPort-001-951-965
PubChem 740893
ZINC ZINC000000178529

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