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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL42334
CHEMBL42334
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H38Cl2N4O3S

Additional synonyms for CHEMBL42334 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](NC(=O)C[C@H]1S[C@@H](N(CC(=O)NCCCN2CCCCC2)C1=O)c3ccc ...
Download SMILES
Standard InChI InChI=1S/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)2 ...
Download InChI
Standard InChI Key COUJFDKQCHWQLT-PCLMVKJGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL42334

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
641.7 640.2042 6.35 11 81.75 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 7 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.41 6.97 5.05 3 43 0.24

Structural Alerts

There are 3 structural alerts for CHEMBL42334. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:COUJFDKQCHWQLT-PCLMVKJGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL42334



BindingDB 50142370
PubChem 44288959
ZINC ZINC000029393494

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