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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL330417
CHEMBL330417
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H37N3O7S

Additional synonyms for CHEMBL330417 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCS(=O)(=O)CCNC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C) ...
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Standard InChI InChI=1S/C28H37N3O7S/c1-4-39(36,37)16-15-29-27(34)25(32)23(1 ...
Download InChI
Standard InChI Key YZNOHLUUTQUXPR-RPWUZVMVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL330417

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
559.7 559.2352 2.18 15 147.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.68 - 3.62 3.62 2 39 0.28

Structural Alerts

There are 10 structural alerts for CHEMBL330417. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YZNOHLUUTQUXPR-RPWUZVMVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL330417



BindingDB 50040004
PubChem 44330942
ZINC ZINC000026749073

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