ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143562
CHEMBL143562
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL143562 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccoc1c2ccccc2OCC3=NCCN3
Standard InChI InChI=1S/C15H16N2O2/c1-11-6-9-18-15(11)12-4-2-3-5-13(12)19-1 ...
Download InChI
Standard InChI Key RKVMBHNDKVMNKU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143562

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
256.3 256.1212 2.64 4 46.76 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.8 3.51 1.66 2 19 0.91

Structural Alerts

There are no structural alerts for CHEMBL143562

Compound Cross References

ChemSpider ChemSpider:RKVMBHNDKVMNKU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143562



BindingDB 50421595
Nikkaji J1.693.305H
PubChem 10060965
PubChem: Thomson Pharma 15045304
ZINC ZINC000013437854

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