COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL160326
Chemical Name: 3-(4-benzylpiperazin-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)Cc1ccccc1

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Molecular Weight: 448.57
Empirical Formula: C26H32N4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.839
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 65
Number of rings: 4

     

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