COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806955
Chemical Name: 4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Smiles: COc1ccc(cc1)NC(=S)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 474.58
Empirical Formula: C26H26N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.156
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 97
Number of rings: 5

     

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