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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1580210
CHEMBL1580210
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H14N4O

Additional synonyms for CHEMBL1580210 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
Standard InChI InChI=1S/C14H14N4O/c1-8-4-5-10-7-11-13(15-9(2)19)17-18(3)14( ...
Download InChI
Standard InChI Key OQTKGYZKQDDSHB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1580210

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
254.3 254.1168 2.39 1 59.81 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
12.48 3.87 2.36 2.36 3 19 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL1580210. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OQTKGYZKQDDSHB-UHFFFAOYSA-N
PubChem SID: 863969

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1580210



ChEBI 119960
eMolecules 4645038 30344273
LINCS LSM-31403
Mcule MCULE-5739389694
MolPort MolPort-000-778-967 MolPort-002-628-383
PubChem 665224
ZINC ZINC000004296053

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