COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL162186
Chemical Name: 3-[4-(3-chlorophenyl)piperazin-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)c2cccc(c2)Cl)ccc1OC

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Molecular Weight: 455.94
Empirical Formula: C24H26ClN3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.132
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 71
Number of rings: 4

     

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