COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL235030
Chemical Name: N-{[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonyl}isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2c1nsn2)C

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Molecular Weight: 440.54
Empirical Formula: C18H24N4O5S2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 1.953
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 166
Number of rings: 3

     

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