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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL362524
CHEMBL362524
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H39N3O8S

Additional synonyms for CHEMBL362524 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H] ...
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Standard InChI InChI=1S/C29H39N3O8S/c30-21-11-13-23(14-12-21)41(35,36)32(40 ...
Download InChI
Standard InChI Key ROVMHUDIATYNMU-AJIIGFCHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL362524

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
589.7 589.2458 2.98 11 149.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.36 .72 3.39 3.39 2 41 0.27

Structural Alerts

There are 11 structural alerts for CHEMBL362524. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ROVMHUDIATYNMU-AJIIGFCHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL362524



BindingDB 9179
IBM Patent System 491A203051CA09CEF5DD4FDF7DD082E6
PubChem 6321054
SureChEMBL SCHEMBL14066013
ZINC ZINC000014946345

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