COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK218668
Chemical Name: N-[(5-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-4-chlorobenzamide
Smiles: CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1CNC(=O)c1ccc(cc1)Cl

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Molecular Weight: 473.94
Empirical Formula: C21H20ClN5O4S

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 3.965
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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