COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK246101
Chemical Name: N-(3-chloro-4-methylphenyl)-3-{4-methyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propanamide
Smiles: O=C(Nc1ccc(c(c1)Cl)C)CCc1nnc(n1C)SCc1ccccc1[N+](=O)[O-]

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Molecular Weight: 445.93
Empirical Formula: C20H20ClN5O3S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 4.539
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 3

     

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