ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL351481
CHEMBL351481
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H25N5O5

Additional synonyms for CHEMBL351481 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCc2ccc(N)cc2)c3[nH]c(nc3C1=O)c4ccc(OCC(=O)O)cc4
Standard InChI InChI=1S/C24H25N5O5/c1-2-12-29-23(32)20-22(28(24(29)33)13-11 ...
Download InChI
Standard InChI Key VQDCOMSLMASLMJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL351481

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
463.5 463.1856 2.84 9 141.85 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.06 4.78 2.3 -1.39 3 34 0.41

Structural Alerts

There are 4 structural alerts for CHEMBL351481. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VQDCOMSLMASLMJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL351481



BindingDB 50023396
PubChem 14016341
ZINC ZINC000027860013

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