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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL364337
CHEMBL364337
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23ClN4O2

Additional synonyms for CHEMBL364337 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCCn1cc(C2=C(Nc3cccc(Cl)c3)C(=O)NC2=O)c4ccccc14
Standard InChI InChI=1S/C23H23ClN4O2/c1-27(2)11-6-12-28-14-18(17-9-3-4-10-1 ...
Download InChI
Standard InChI Key DPTJTWOSTGZPKA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL364337

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
422.9 422.151 3.54 7 66.37 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.34 9.61 5.58 3.29 3 30 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL364337. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DPTJTWOSTGZPKA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL364337



BindingDB 50153448
PubChem 44394557
SureChEMBL SCHEMBL7841721
ZINC ZINC000028375837

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