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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL147307
CHEMBL147307
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H29Cl2N3O2

Additional synonyms for CHEMBL147307 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)c2cccc(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2
Standard InChI InChI=1S/C24H29Cl2N3O2/c1-23(2)13-18(14-24(3,4)29-23)28-22(3 ...
Download InChI
Standard InChI Key XBJCQTTVNQVVSH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL147307

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
462.4 461.1637 5.21 5 70.23 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.72 10.57 5.51 2.7 2 31 0.57

Structural Alerts

There are no structural alerts for CHEMBL147307

Compound Cross References

ChemSpider ChemSpider:XBJCQTTVNQVVSH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL147307



BindingDB 50086849
PubChem 44364925
ZINC ZINC000027561451

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