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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL23874
CHEMBL23874
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H28ClNO5S

Additional synonyms for CHEMBL23874 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1c(O)c(ccc1OCCCSc2ccc(CC(=O)O)cc2Cl)\C(=N\O)\CC
Standard InChI InChI=1S/C23H28ClNO5S/c1-3-6-17-20(9-8-16(23(17)28)19(4-2)25 ...
Download InChI
Standard InChI Key JLVVAYSKHQLKES-NCELDCMTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL23874

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
466 465.1377 5.77 12 99.35 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.08 - 6.99 3.79 2 31 0.12

Structural Alerts

There are 10 structural alerts for CHEMBL23874. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JLVVAYSKHQLKES-NCELDCMTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL23874



Nikkaji J2.020.097I
PubChem: Thomson Pharma 16861955
SureChEMBL SCHEMBL6861995
ZINC ZINC000012358259

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