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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143463
CHEMBL143463
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H42N4O4S

Additional synonyms for CHEMBL143463 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCCN3C(=O)CSc4c(OCC(O)CNC(C)(C)C)cccc34)CC2
Standard InChI InChI=1S/C29H42N4O4S/c1-29(2,3)30-19-22(34)20-37-26-12-7-10- ...
Download InChI
Standard InChI Key UORFXDKDNXZABJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143463

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
542.8 542.2927 3.47 11 77.51 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.77 9.49 3 .68 2 38 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL143463. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UORFXDKDNXZABJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143463



BindingDB 50086666
Nikkaji J1.266.847C
PubChem 9984829
PubChem: Thomson Pharma 14962854

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