COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133180
Chemical Name: 3-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole
Smiles: Clc1cccc(c1CSc1nnc(n1C)Cc1cccc2c1cccc2)[N+](=O)[O-]

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Molecular Weight: 424.91
Empirical Formula: C21H17ClN4O2S

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 5.878
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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