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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8867
CHEMBL8867
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H14ClN3O4S

Additional synonyms for CHEMBL8867 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3
Standard InChI InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15( ...
Download InChI
Standard InChI Key QYIYFLOTGYLRGG-WUMONGPASA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL8867

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
367.8 367.0394 0.62 4 112.73 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.95 6.84 .14 -3.01 1 24 0.67

Structural Alerts

There are 4 structural alerts for CHEMBL8867. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QYIYFLOTGYLRGG-WUMONGPASA-N
PubChem SID: 50106008 SID: 50106009 SID: 90341078
Wikipedia Cefaclor

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8867



ACToR 64753-81-7
eMolecules 31240153
Nikkaji J332.452D
PharmGKB PA164749137
PubChem 40958
PubChem: Thomson Pharma 14803831
SureChEMBL SCHEMBL8626208

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