COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK427013
Chemical Name: 2-(2,5-dichlorophenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
Smiles: CCC(C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])Oc1cc(Cl)ccc1Cl

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Molecular Weight: 438.31
Empirical Formula: C20H21Cl2N3O4

Physical State: Dry powder
Available Amount: 1021 mg

Lipinsky:
logP: 4.904
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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