COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL156389
Chemical Name: 3-(4-acetylpiperazin-1-yl)-4-{[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
Smiles: COc1ccc(cc1)C(N(C)C)CNC1=C(C(=O)C1=O)N1CCN(CC1)C(=O)C

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Molecular Weight: 400.48
Empirical Formula: C21H28N4O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 0.707
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 82
Number of rings: 3

     

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