COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK841890
Chemical Name: 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carbothioamide
Smiles: Cc1ccc(cc1)NC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 458.58
Empirical Formula: C26H26N4O2S

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 2.667
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 5

     

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