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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL18395
CHEMBL18395
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H11N3O2

Additional synonyms for CHEMBL18395 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1N2C(=O)c3ccccc3N=C2c4nc5ccccc5cc14
Standard InChI InChI=1S/C18H11N3O2/c22-17-11-6-2-4-8-14(11)20-16-15-12(18(2 ...
Download InChI
Standard InChI Key LZLDOGIBLAERQI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL18395

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
301.3 301.0851 2.73 0 65.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.54 1.01 1.83 1.83 3 23 0.69

Structural Alerts

There are no structural alerts for CHEMBL18395

Compound Cross References

ChemSpider ChemSpider:LZLDOGIBLAERQI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL18395



Nikkaji J929.390F
PubChem 10017730
PubChem: Thomson Pharma 14998740

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