COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311461
Chemical Name: 2-methyl-3-phenyl-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonyl)-3,4-dihydroisoquinolin-1(2H)-one
Smiles: O=C(C1c2ccccc2C(=O)N(C1c1ccccc1)C)N1CCN(CC1)C/C=C/c1ccccc1

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Molecular Weight: 465.6
Empirical Formula: C30H31N3O2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.791
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 43
Number of rings: 5

     

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