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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL165796
CHEMBL165796
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23N3O2

Additional synonyms for CHEMBL165796 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CC2=NC(=C(CCN3CCc4oc5ccccc5c4C3)C(=O)N2C=C1)C
Standard InChI InChI=1S/C23H23N3O2/c1-15-7-12-26-22(13-15)24-16(2)17(23(26) ...
Download InChI
Standard InChI Key FGTWZUQEDNXLLZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL165796

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
373.5 373.179 3.66 3 50.75 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.94 2.96 2.85 4 28 0.55

Structural Alerts

There are no structural alerts for CHEMBL165796

Compound Cross References

ChemSpider ChemSpider:FGTWZUQEDNXLLZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL165796



BindingDB 50403742
Nikkaji J1.235.130E
PubChem 44376958
ZINC ZINC000027862731

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