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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9485
CHEMBL9485
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H32Cl2N2O4

Additional synonyms for CHEMBL9485 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1
Standard InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11 ...
Download InChI
Standard InChI Key IEKOTSCYBBDIJC-LJQANCHMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL9485

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
459.4 458.1739 5.17 14 86.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.47 - 6.04 3.17 1 30 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL9485. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IEKOTSCYBBDIJC-LJQANCHMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9485



BindingDB 50005459
FDA SRS IF62287E88
Nikkaji J259.905H
PubChem 13605417
ZINC ZINC000003782183

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