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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL288229
CHEMBL288229
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H27N3O5S

Additional synonyms for CHEMBL288229 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCSCc1ccc2c(c1)c3c4CNC(=O)c4c5c6ccccc6n7[C@H]8C[C@](O)(C(=O) ...
Download SMILES
Standard InChI InChI=1S/C30H27N3O5S/c1-4-39-14-15-9-10-20-17(11-15)22-18-13 ...
Download InChI
Standard InChI Key UFLRHQRKTYVKGB-RIGQTMPJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL288229

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
541.6 541.1671 4.91 4 94.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.94 - 6.01 6.01 5 39 0.31

Structural Alerts

There are 2 structural alerts for CHEMBL288229. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFLRHQRKTYVKGB-RIGQTMPJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL288229



PubChem 44284203
ZINC ZINC000029316043

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