COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807550
Chemical Name: 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)Nc1ccccc1C(F)(F)F

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Molecular Weight: 512.56
Empirical Formula: C26H23F3N4O2S

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 3.399
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 5

     

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