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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL481799
CHEMBL481799
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H23Cl2NO6

Additional synonyms for CHEMBL481799 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC(CO)(CO)NCC(O)COc1cccc2C(=O)c3ccc(Cl)cc3Oc12
Standard InChI InChI=1S/C20H22ClNO6.ClH/c1-20(10-23,11-24)22-8-13(25)9-27-1 ...
Download InChI
Standard InChI Key MIXAFXGMVWKPKI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL481799

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
407.9 407.1136 1.67 8 112.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.71 7.1 2.68 2.5 3 28 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL481799. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MIXAFXGMVWKPKI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL481799



PubChem 44571263

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