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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL400420
CHEMBL400420
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H40ClN3O4S

Additional synonyms for CHEMBL400420 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1)S(=O)(=O)N2[C@@H](CCC[C@@H]2C3(CC3)OC(=O)N4CCC(C ...
Download SMILES
Standard InChI InChI=1S/C28H40ClN3O4S/c29-22-9-11-24(12-10-22)37(34,35)32-2 ...
Download InChI
Standard InChI Key RJVZGMCJGORCKU-IZZNHLLZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL400420

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
550.2 549.2428 5.28 6 70.16 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 2 7 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.44 6.23 4.56 1 37 0.48

Structural Alerts

There are 2 structural alerts for CHEMBL400420. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RJVZGMCJGORCKU-IZZNHLLZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL400420



BindingDB 50220271
IBM Patent System 721EB50631A6D7D9491CA82D4FDCF0F9
PubChem 44435362
SureChEMBL SCHEMBL8258743
ZINC ZINC000028827223

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