COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL161729
Chemical Name: 3-(4-acetylpiperazin-1-yl)-4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}cyclobut-3-ene-1,2-dione
Smiles: COc1cc(CCNC2=C(C(=O)C2=O)N2CCN(CC2)C(=O)C)ccc1OC

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Molecular Weight: 387.44
Empirical Formula: C20H25N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.396
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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