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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL254139
CHEMBL254139
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H35N5O5S

Additional synonyms for CHEMBL254139 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccc(cc3)N4CCN ...
Download SMILES
Standard InChI InChI=1S/C30H35N5O5S/c1-22-7-13-25(14-8-22)41(39,40)35-16-4- ...
Download InChI
Standard InChI Key KXDHHOHONIXTFW-SVBPBHIXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL254139

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
577.7 577.2359 2.68 9 123.15 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.42 8.43 2.17 -.37 3 41 0.4

Structural Alerts

There are 1 structural alerts for CHEMBL254139. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KXDHHOHONIXTFW-SVBPBHIXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL254139



BindingDB 50231425
PubChem 44446225
ZINC ZINC000028978662

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