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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1551906
CHEMBL1551906
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H19N3O2

Additional synonyms for CHEMBL1551906 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1ccc(CNC(=O)C2=CN=C3N(C=CC=C3C)C2=O)cc1
Standard InChI InChI=1S/C19H19N3O2/c1-3-14-6-8-15(9-7-14)11-21-18(23)16-12- ...
Download InChI
Standard InChI Key JJDAVEONQJSQIU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1551906

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
321.4 321.1477 2.5 4 63.47 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
11.38 2.18 3 3 3 24 0.8

Structural Alerts

There are 1 structural alerts for CHEMBL1551906. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JJDAVEONQJSQIU-UHFFFAOYSA-N
PubChem SID: 24412945

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1551906



eMolecules 27185700
Mcule MCULE-1651017893
MolPort MolPort-007-893-321
PubChem 16033084
ZINC ZINC000008602049

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