Drug Information

Drug ID:  NPD2023
Drug Name:  Cefotaxime Sodium
Molecular Formula:  C16H17N5O7S2.Na
Canonical SMILES:  CO/N=C(/c1csc(=N)[nH]1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)[O-].[Na+]
Standard InCHI:  InChI=1S/C16H17N5O7S2.Na/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);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1
Standard InCHIKey:  AZZMGZXNTDTSME-JUZDKLSSSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2023

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Remote Similarity 0.6899 NPC288109
Remote Similarity 0.6612 NPC144780
Remote Similarity 0.5852 NPC59249

Drug Structure

External Identifiers

TTD  
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ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
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CAS Number  

Drug Properties

Molecular Weight  454.05
ALogP  -1.3259
MLogP  1.68
XLogP  0.79
HDA  10
HBD  3
Rotatable Bonds  12
TPSA  227.4
RO5 Violation  0