COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130898
Chemical Name: 2-{[4-ethyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
Smiles: CCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nnc1Cc1cccc2c1cccc2

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Molecular Weight: 432.5
Empirical Formula: C23H20N4O3S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 5.447
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 4

     

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