COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245768
Chemical Name: N-[(4-ethyl-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Smiles: CCn1c(SCC(=O)c2ccc(cc2)F)nnc1CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 442.47
Empirical Formula: C21H19FN4O4S

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 2.935
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 4

     

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