COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK219194
Chemical Name: 2-fluoro-N-{[5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1CNC(=O)c1ccccc1F

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Molecular Weight: 455.47
Empirical Formula: C21H18FN5O4S

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 3.258
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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