COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806692
Chemical Name: ethyl(2Z)-2-cyano-3-(4-{4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}phenyl)prop-2-enoate
Smiles: CCOC(=O)/C(=C\c1ccc(cc1)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)/C#N

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Molecular Weight: 508.58
Empirical Formula: C30H28N4O4

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 3.617
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 93
Number of rings: 5

     

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