COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806761
Chemical Name: ethyl(2Z)-2-cyano-3-(4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}phenyl)prop-2-enoate
Smiles: CCOC(=O)/C(=C\c1ccc(cc1)N1CCN(CC1)C/C=C/c1ccccc1)/C#N

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Molecular Weight: 401.51
Empirical Formula: C25H27N3O2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.538
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 56
Number of rings: 3

     

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