COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839928
Chemical Name: 2-(2-{4-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: Clc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3

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Molecular Weight: 473.96
Empirical Formula: C27H24ClN3O3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 3.429
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 60
Number of rings: 5

     

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