ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2323628
CHEMBL2323628
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28N4O3

Additional synonyms for CHEMBL2323628 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2ncc(cc2c1)C(=O)N3CCC4(CC3)CC(=O)c5c(C4)cnn5C(C)C
Standard InChI InChI=1S/C25H28N4O3/c1-16(2)29-23-19(15-27-29)12-25(13-22(23 ...
Download InChI
Standard InChI Key NEAXSGQKIMMBMG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2323628

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
432.5 432.2161 4.07 3 77.32 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.99 1.38 1.38 3 32 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL2323628. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NEAXSGQKIMMBMG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2323628



BindingDB 50426523
PubChem 70674464
PubChem: Thomson Pharma 160639429
SureChEMBL SCHEMBL13552064
ZINC ZINC000095582237

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