COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK267256
Chemical Name: N-({4-ethyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc(cc1)C

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Molecular Weight: 410.5
Empirical Formula: C21H22N4O3S

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 3.638
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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