COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030786
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](2-methyl-3-nitrophenyl)methanone
Smiles: O=C(c1cccc(c1C)[N+](=O)[O-])N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 383.4
Empirical Formula: C20H21N3O5

Physical State: Dry powder
Available Amount: 2071 mg

Lipinsky:
logP: 2.121
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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