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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL429677
CHEMBL429677
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H37N3O7S

Additional synonyms for CHEMBL429677 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c3ccccc3)c(cc1OC)S(=O ...
Download SMILES
Standard InChI InChI=1S/C27H37N3O7S/c1-28(23(20-7-5-4-6-8-20)19-29-10-9-22( ...
Download InChI
Standard InChI Key OYKLNAZLUWSWNL-XZOQPEGZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL429677

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
547.7 547.2352 1.53 10 108.85 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 10 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.72 .41 -.12 2 38 0.48

Structural Alerts

There are 1 structural alerts for CHEMBL429677. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OYKLNAZLUWSWNL-XZOQPEGZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL429677



BindingDB 50377013
PubChem 10076169
PubChem: Thomson Pharma 15061654
ZINC ZINC000029042867

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