COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806624
Chemical Name: 2-(2-{4-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: O=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 484.51
Empirical Formula: C27H24N4O5

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 2.682
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 106
Number of rings: 5

     

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