COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474048
Chemical Name: 3-(1,3-benzodioxol-5-yl)-4-methyl-5-({[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazole
Smiles: Cc1cccc(c1)c1scc(n1)CSc1nnc(n1C)c1ccc2c(c1)OCO2

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Molecular Weight: 422.53
Empirical Formula: C21H18N4O2S2

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 5.534
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 5

     

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