COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057632
Chemical Name: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1cccc(c1)c1nnc(n1Cc1ccco1)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 426.88
Empirical Formula: C20H15ClN4O3S

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 6.105
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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