COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK466762
Chemical Name: 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Smiles: Clc1ccc(c(c1)C)OCCCc1nnc(n1C)SCn1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 422.9
Empirical Formula: C17H19ClN6O3S

Physical State: Liquid
Available Amount: 266 mg

Lipinsky:
logP: 4.433
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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