COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL421009
Chemical Name: [4-(2-fluorophenyl)piperazin-1-yl](3-methyl-1,1-dioxido-4-propyl-4H-1,2,4-benzothiadiazin-7-yl)methanone
Smiles: CCCN1C(=NS(=O)(=O)c2c1ccc(c2)C(=O)N1CCN(CC1)c1ccccc1F)C

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Molecular Weight: 444.53
Empirical Formula: C22H25FN4O3S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 0.985
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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