COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807728
Chemical Name: N-{3-[(difluoromethyl)sulfonyl]phenyl}-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)Nc1cccc(c1)S(=O)(=O)C(F)F

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Molecular Weight: 558.63
Empirical Formula: C26H24F2N4O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 1.211
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 5

     

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