COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK271121
Chemical Name: 3-({[5-(3,4-dimethoxybenzyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoicacid
Smiles: CCn1c(nnc1SCc1cccc(c1)C(=O)O)Cc1ccc(c(c1)OC)OC

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Molecular Weight: 413.5
Empirical Formula: C21H23N3O4S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.173
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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