ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292781
CHEMBL292781
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H27N7O3

Additional synonyms for CHEMBL292781 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC1=CC(=O)N(CCNC(=O)C)C(=O)N1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4
Standard InChI InChI=1S/C25H27N7O3/c1-3-6-20-15-23(34)31(14-13-26-17(2)33)2 ...
Download InChI
Standard InChI Key QBEBNGNPTJGRME-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292781

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
473.5 473.2175 1.99 9 127.56 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 .6 3.57 1.6 4 35 0.38

Structural Alerts

There are no structural alerts for CHEMBL292781

Compound Cross References

ChemSpider ChemSpider:QBEBNGNPTJGRME-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292781



BindingDB 50285160
PubChem 44305446
ZINC ZINC000026178554

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