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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL370459
CHEMBL370459
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19N3O2

Additional synonyms for CHEMBL370459 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=N/NC(=O)Nc1c(C)cccc1C)\c2ccccc2O
Standard InChI InChI=1S/C17H19N3O2/c1-11-7-6-8-12(2)16(11)18-17(22)20-19-13 ...
Download InChI
Standard InChI Key VPLPUJUIQDRZGS-CPNJWEJPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL370459

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
297.4 297.1477 3.55 3 73.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.95 1.66 3.19 3.15 2 22 0.6

Structural Alerts

There are 7 structural alerts for CHEMBL370459. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VPLPUJUIQDRZGS-CPNJWEJPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL370459



PubChem: Thomson Pharma 16792301
ZINC ZINC000028524999

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