COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK147515
Chemical Name: 1-(9H-fluoren-2-yl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc3c(c2)Cc2c3cccc2)nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 468.54
Empirical Formula: C26H20N4O3S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 7.077
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 5

     

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