COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595746
Chemical Name: 3-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine
Smiles: Clc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 427.87
Empirical Formula: C18H14ClN7O2S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 4.234
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 156
Number of rings: 4

     

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