ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1269260
CHEMBL1269260
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C35H32N6O4

Additional synonyms for CHEMBL1269260 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(Cc1ccccc1)C(=O)CN2C(=O)C(Nc3cccc(c3)C(=O)O)c4nnc(c5cc ...
Download SMILES
Standard InChI InChI=1S/C35H32N6O4/c1-23(2)39(21-24-12-5-3-6-13-24)30(42)22 ...
Download InChI
Standard InChI Key RQXKSSUCNKSXAB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1269260

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
600.7 600.2485 5.57 9 120.66 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 10 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.22 .92 6.23 3.4 5 45 0.23

Structural Alerts

There are no structural alerts for CHEMBL1269260

Compound Cross References

ChemSpider ChemSpider:RQXKSSUCNKSXAB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1269260



BindingDB 50329181
PubChem 52946666

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