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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL360766
CHEMBL360766
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H37N3O2

Additional synonyms for CHEMBL360766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)c1ccc(NC(=O)C2(CCc3ccccc3C2)NC(=O)CCC(C)C)cc1
Standard InChI InChI=1S/C27H37N3O2/c1-5-30(6-2)24-14-12-23(13-15-24)28-26(3 ...
Download InChI
Standard InChI Key PGASROOBWFBOMO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL360766

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
435.6 435.2886 4.95 9 61.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.14 4.99 4.57 2 32 0.59

Structural Alerts

There are 2 structural alerts for CHEMBL360766. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PGASROOBWFBOMO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL360766



PubChem 44391412

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