COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK297778
Chemical Name: N-({4-methyl-5-[(2-oxo-2-{[4-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzodioxole-5-carboxamide
Smiles: O=C(Nc1ccc(cc1)C(F)(F)F)CSc1nnc(n1C)CNC(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 493.47
Empirical Formula: C21H18F3N5O4S

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 3.318
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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