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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL178163
CHEMBL178163
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H19N3O6

Additional synonyms for CHEMBL178163 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC(=O)C2(CCC(=O)N2c3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)C(=O)N1
Standard InChI InChI=1S/C25H19N3O6/c29-21-14-15-25(22(30)26-24(32)27-23(25) ...
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Standard InChI Key WKXRIMLOWDOHMN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL178163

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
457.4 457.1274 3.5 5 114.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.84 - 5.02 4.89 3 34 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL178163. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WKXRIMLOWDOHMN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL178163



BindingDB 50160843
Brenda 59858
PubChem 44389401
ZINC ZINC000003819197

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