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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3261693
CHEMBL3261693
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28ClN3O2

Additional synonyms for CHEMBL3261693 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCC(Oc1ccc(NC(=O)Nc2ccc(C)c(Cl)c2)cc1)c3ccccc3
Standard InChI InChI=1S/C25H28ClN3O2/c1-18-9-10-21(17-23(18)26)28-25(30)27- ...
Download InChI
Standard InChI Key NWKUYTHJFNHGBE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3261693

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
438 437.187 5.47 8 53.6 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.65 9.26 4.13 2.25 3 31 0.49

Structural Alerts

There are no structural alerts for CHEMBL3261693

Compound Cross References

ChemSpider ChemSpider:NWKUYTHJFNHGBE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3261693



BindingDB 50013050
PubChem 90656233

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