COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806933
Chemical Name: 3-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1sc2c(c1Cl)ccc(c2)OC)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 472.98
Empirical Formula: C21H17ClN4O3S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 7.374
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 139
Number of rings: 4

     

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