COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806972
Chemical Name: N-(4-acetylphenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)Nc1ccc(cc1)C(=O)C

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Molecular Weight: 486.59
Empirical Formula: C27H26N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.087
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 105
Number of rings: 5

     

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