COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410734
Chemical Name: 3-[4-(4-chlorophenyl)piperazin-1-yl]-4-[(3,4-dimethoxybenzyl)amino]cyclobut-3-ene-1,2-dione
Smiles: COc1cc(CNC2=C(C(=O)C2=O)N2CCN(CC2)c2ccc(cc2)Cl)ccc1OC

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Molecular Weight: 441.91
Empirical Formula: C23H24ClN3O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.641
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 4

     

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