Drug Information

Drug ID:  NPD5248
Drug Name:  Dexamethasone Sodium Phosphate
Molecular Formula:  C22H30FO8P.Na
Canonical SMILES:  O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COP(=O)(O)[O-])C)C)C.[Na+]
Standard InCHI:  InChI=1S/C22H30FO8P.Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);/q;+1/p-1/t12-,15+,16+,17+,19+,20+,21+,22+;/m1./s1
Standard InCHIKey:  MQRFYYBWKRACSJ-WKSAPEMMSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5248

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

Drug Structure

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External Identifiers

TTD  
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ChEMBL  
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KEGG Drug  
PubChem CID  
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CAS Number  

Drug Properties

Molecular Weight  471.16
ALogP  -1.5576
MLogP  2.78
XLogP  -0.52
HDA  8
HBD  3
Rotatable Bonds  12
TPSA  154
RO5 Violation  0