COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187010
Chemical Name: 2-{[5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Smiles: C=CCn1c(COc2ccc3c(c2C)cccc3)nnc1SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 474.54
Empirical Formula: C25H22N4O4S

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 6.138
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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