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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2153423
CHEMBL2153423
Compound Name
ChEMBL Synonyms LASSBio-772
Max Phase 0
Trade Names
Molecular Formula C20H25ClN2O3

Additional synonyms for CHEMBL2153423 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.COc1ccccc1N2CCN(CCc3ccc4OCOc4c3)CC2
Standard InChI InChI=1S/C20H24N2O3.ClH/c1-23-18-5-3-2-4-17(18)22-12-10-21(1 ...
Download InChI
Standard InChI Key CZXPYCADSFGDOE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2153423

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
340.4 340.1787 2.79 5 34.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.47 3.22 2.92 2 25 0.84

Structural Alerts

There are no structural alerts for CHEMBL2153423

Compound Cross References

ChemSpider ChemSpider:CZXPYCADSFGDOE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2153423



PubChem 53329787
PubChem: Thomson Pharma 124979920

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