ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255723
CHEMBL1255723
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2

Additional synonyms for CHEMBL1255723 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c4c[nH]cn4
Standard InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13- ...
Download InChI
Standard InChI Key ARHWJJBPLJIHQP-AEGPPILISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1255723

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
224.3 224.1313 3.03 2 28.68 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.41 2.08 1.6 2 17 0.83

Structural Alerts

There are no structural alerts for CHEMBL1255723

Compound Cross References

ChemSpider ChemSpider:ARHWJJBPLJIHQP-AEGPPILISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255723



BindingDB 50417010
PubChem 52944548
ZINC ZINC000064540975

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