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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420578
CHEMBL2420578
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14N4

Additional synonyms for CHEMBL2420578 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Nc1nc2ccccc2n3ccnc13)c4ccccc4
Standard InChI InChI=1S/C17H14N4/c1-2-6-13(7-3-1)12-19-16-17-18-10-11-21(17 ...
Download InChI
Standard InChI Key PCKUMDJKBIBFBY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420578

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
274.3 274.1218 3.49 3 42.22 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.34 3.63 3.63 4 21 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL2420578. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PCKUMDJKBIBFBY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420578



PubChem 4146014

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