ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL245799
CHEMBL245799
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28N4O

Additional synonyms for CHEMBL245799 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]3C[C@H]3c4ccccc4)c5cccc(CN6CCOCC6)c ...
Download SMILES
Standard InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-10-9-24(23-8-4-5-21(15 ...
Download InChI
Standard InChI Key ZSFBXECHPWLXOZ-LITSAYRRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL245799

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
460.6 460.2263 5.57 6 61.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.36 5.05 5.01 4 35 0.41

Structural Alerts

There are no structural alerts for CHEMBL245799

Compound Cross References

ChemSpider ChemSpider:ZSFBXECHPWLXOZ-LITSAYRRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL245799



BindingDB 50221520
PubChem 44442740
ZINC ZINC000028952928

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