COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK119684
Chemical Name: 3-[(2,6-dichlorobenzyl)sulfanyl]-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 421.31
Empirical Formula: C18H14Cl2N4O2S

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 6.632
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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