COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060515
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-methoxy-3-nitrophenyl)methanone
Smiles: COc1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 399.4
Empirical Formula: C20H21N3O6

Physical State: Dry powder
Available Amount: 371 mg

Lipinsky:
logP: 2.053
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 97
Number of rings: 4

     

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