ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL180770
CHEMBL180770
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H32N2O2

Additional synonyms for CHEMBL180770 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCOc1cccc2CCC(Cc12)C(=O)Nc3ccc(cc3)N(CC)CC
Standard InChI InChI=1S/C24H32N2O2/c1-4-16-28-23-9-7-8-18-10-11-19(17-22(18 ...
Download InChI
Standard InChI Key RFZIEDJBTQOEOX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL180770

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
380.5 380.2464 5.07 8 41.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.12 5.64 5.25 2 28 0.7

Structural Alerts

There are no structural alerts for CHEMBL180770

Compound Cross References

ChemSpider ChemSpider:RFZIEDJBTQOEOX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL180770



PubChem 44391372

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