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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110625
CHEMBL2110625
Compound Name CEFOVECIN
ChEMBL Synonyms CEFOVECIN SODIUM | UK-287,074-02
Max Phase 0
Trade Names
Molecular Formula C17H19N5O6S2

Additional synonyms for CHEMBL2110625 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)[C@@H]3CCCO3) ...
Download SMILES
Standard InChI InChI=1S/C17H19N5O6S2/c1-27-21-10(8-6-30-17(18)19-8)13(23)20 ...
Download InChI
Standard InChI Key ZJGQFXVQDVCVOK-MSUXKOGISA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2110625

Molecule Features

CHEMBL2110625 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CEFOVECIN
The Cochrane Collaboration CEFOVECIN

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
453.5 453.0777 -0.01 6 156.44 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 3 0 11 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.78 1.7 -.2 -3.94 1 30 0.31

Structural Alerts

There are 13 structural alerts for CHEMBL2110625. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZJGQFXVQDVCVOK-MSUXKOGISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110625



PubChem 9577223
SureChEMBL SCHEMBL4966764
ZINC ZINC000034326129

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