COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK663612
Chemical Name: {[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
Smiles: C=CCn1c(SCC(=O)O)nnc1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 320.33
Empirical Formula: C13H12N4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.241
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 139
Number of rings: 2

     

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