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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL102
CHEMBL102
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H17N5O7S2

Additional synonyms for CHEMBL102 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)/c3c ...
Download SMILES
Standard InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14) ...
Download InChI
Standard InChI Key GPRBEKHLDVQUJE-VINNURBNSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL102

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
455.5 455.0569 -0.62 7 173.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 3 1 12 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.66 1.7 -.51 -4.26 1 30 0.21

Structural Alerts

There are 15 structural alerts for CHEMBL102. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GPRBEKHLDVQUJE-VINNURBNSA-N
Wikipedia Cefotaxime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL102



ACToR 63527-52-6
BindingDB 50335523
Brenda 13904 153384 154368 417
eMolecules 3715755
EPA CompTox Dashboard DTXSID6022761
FDA SRS 5KTC59K32X
Mcule MCULE-6008190974
Nikkaji J271.514G J1.582.245G
PubChem 5479527
PubChem: Thomson Pharma 16839029
SureChEMBL SCHEMBL15410
ZINC ZINC000003830437

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