COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL365717
Chemical Name: N-{[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1CN(S(=O)(=O)C)c1ccc(cc1)F

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Molecular Weight: 495
Empirical Formula: C21H20ClFN4O3S2

Physical State: Dry powder
Available Amount: 800 mg

Lipinsky:
logP: 4.94
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 3

     

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