General Information of the Compound
Compound ID
CP0034885
Compound Name
CHEBI:204928
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Synonyms
CE3
Cefotaxim
Cefotaxim Hikma
Cefotaxim Hikma (TN)
Cefotaxima
Cefotaxima [INN-Spanish]
Cefotaxime
Cefotaxime (INN)
Cefotaxime [INN:BAN]
Cefotaxime acid
Cefotaximum
Cefotaximum [INN-Latin]
Cephotaxim
Cephotaxime
Claforan
Claforan (*Sodium salt*)
Claforan (TN)
Klaforan
RU 24662
Ru-24756
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Structure
Formula
C16H17N5O7S2
Molecular Weight
455.474
Canonical SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
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InChI
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
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InChIKey
GPRBEKHLDVQUJE-QSWIMTSFSA-N
CAS
63527-52-6
Physicochemical Property
logP
-0.6225
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
173.51
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
11
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5742673
SID: 14857885
ChEMBL ID
CHEMBL1730
DrugBank ID
DB00493
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02209, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 290 nM
   TI
   LI
   LO
   TS
Protein ID: PT02208, Solute carrier family 22 member 11
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 6150 nM
   TI
   LI
   LO
   TS
Protein ID: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 3130 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cefotaxime )
Drug Name Cefotaxime
Company Roussel Uclaf
Indication
Bacterial infection
Approved