COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK417962
Chemical Name: [2-(3,4-dimethoxyphenyl)quinolin-4-yl]{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methanone
Smiles: COc1cc(ccc1OC)c1nc2ccccc2c(c1)C(=O)N1CCN(CC1)C/C=C/c1ccccc1

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Molecular Weight: 493.61
Empirical Formula: C31H31N3O3

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 3.976
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 54
Number of rings: 5

     

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