Drug Information

Drug ID:  NPD9696
Drug Name:  Azathioprine Sodium
Molecular Formula:  C9H6N7O2S.Na
Canonical SMILES:  Cn1cnc(c1Sc1ncnc2c1nc[n-]2)N(=O)=O.[Na+]
Standard InCHI:  InChI=1S/C9H6N7O2S.Na/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8;/h2-4H,1H3;/q-1;+1
Standard InCHIKey:  WISNYKIQFMKSDQ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9696

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 0.6642 NPC189314
Remote Similarity 0.6587 NPC87981
Remote Similarity 0.6587 NPC174114
Remote Similarity 0.6308 NPC476564
Remote Similarity 0.6096 NPC104011
Remote Similarity 0.6061 NPC18335
Remote Similarity 0.5956 NPC4837
Remote Similarity 0.5956 NPC312187
Remote Similarity 0.5862 NPC248007
Remote Similarity 0.5849 NPC136349
Remote Similarity 0.5741 NPC328479
Remote Similarity 0.5736 NPC51000
Remote Similarity 0.5655 NPC139776
Remote Similarity 0.5612 NPC47936

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  299.02
ALogP  
MLogP  1.24
XLogP  -0.561
HDA  6
HBD  0
Rotatable Bonds  4
TPSA  123.8
RO5 Violation  0