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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL136421
CHEMBL136421
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O

Additional synonyms for CHEMBL136421 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)c1cccc(c1)[C@]2(C)CCN(CCc3ccccc3)C[C@@H]2C
Standard InChI InChI=1S/C23H30N2O/c1-18-17-25(14-12-19-8-5-4-6-9-19)15-13-2 ...
Download InChI
Standard InChI Key ZKUFOUJYDOLPRR-FDDCHVKYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL136421

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
350.5 350.2358 3.89 5 32.34 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.66 3.34 1.12 2 26 0.89

Structural Alerts

There are no structural alerts for CHEMBL136421

Compound Cross References

ChemSpider ChemSpider:ZKUFOUJYDOLPRR-FDDCHVKYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL136421



BindingDB 50136594
Nikkaji J2.038.272D
PubChem 44358763
ZINC ZINC000013587974

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