COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK218618
Chemical Name: N-[1-(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
Smiles: CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1C(NC(=O)c1ccccc1F)C

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Molecular Weight: 471.51
Empirical Formula: C22H22FN5O4S

Physical State: Dry powder
Available Amount: 226 mg

Lipinsky:
logP: 3.178
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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