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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL345656
CHEMBL345656
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H31Cl2N3O6S

Additional synonyms for CHEMBL345656 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)S(=O)(=O)N2C3CCC(CC3)C2C(=O)N[C@@H](Cc4ccc(NC(=O) ...
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Standard InChI InChI=1S/C31H31Cl2N3O6S/c1-18-5-15-23(16-6-18)43(41,42)36-22 ...
Download InChI
Standard InChI Key NAJHRSPELCBBQS-VNTITPCMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL345656

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
644.6 643.1311 5.3 9 132.88 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 2 9 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.54 - 4.19 .58 3 43 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL345656. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NAJHRSPELCBBQS-VNTITPCMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL345656



BindingDB 50139083
PubChem 44370366

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