COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246108
Chemical Name: N-(2-methyl-1-{4-methyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)-1,3-benzodioxole-5-carboxamide
Smiles: CC(C(c1nnc(n1C)SCc1ccccc1[N+](=O)[O-])NC(=O)c1ccc2c(c1)OCO2)C

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Molecular Weight: 469.52
Empirical Formula: C22H23N5O5S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 3.603
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 149
Number of rings: 4

     

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