COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806978
Chemical Name: 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-ethylpiperazine-1-carbothioamide
Smiles: CCNC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 396.51
Empirical Formula: C21H24N4O2S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 1.356
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 4

     

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