COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041566
Chemical Name: (2E)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxobut-2-enoate
Smiles: [O-]C(=O)/C=C/C(=O)N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1

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Molecular Weight: 350.42
Empirical Formula: C21H22N2O3

Physical State: Dry powder
Available Amount: 69 mg

Lipinsky:
logP: 2.236
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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