Drug Information

Drug ID:  NPD4073
Drug Name:  cefluprenam
Molecular Formula:  C20H25FN8O6S2
Canonical SMILES:  FCO/N=C(/c1[nH]sc(=N)n1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])/C=C/C[N+](CC(=N)O)(CC)C)O
Standard InCHI:  InChI=1S/C20H25FN8O6S2/c1-3-29(2,7-11(22)30)6-4-5-10-8-36-18-13(17(32)28(18)14(10)19(33)34)24-16(31)12(26-35-9-21)15-25-20(23)37-27-15/h4-5,13,18H,3,6-9H2,1-2H3,(H5-,22,23,24,25,27,30,31,33,34)/b5-4+,26-12-/t13-,18-,29?/m1/s1
Standard InCHIKey:  XAKKNLNAJBNLPC-MAYKBZFQSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4073

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 0.6532 NPC144780
Remote Similarity 0.6204 NPC288109
Remote Similarity 0.6013 NPC13470
Remote Similarity 0.5797 NPC59249
Remote Similarity 0.5762 NPC476158

Drug Structure

External Identifiers

TTD   DIB006562
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Drug Properties

Molecular Weight  556.13
ALogP  -2.0217
MLogP  1.79
XLogP  -0.094
HDA  11
HBD  5
Rotatable Bonds  18
TPSA  257.54
RO5 Violation  2