COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806663
Chemical Name: 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Smiles: C=CCNC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 408.52
Empirical Formula: C22H24N4O2S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 1.652
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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