COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK315585
Chemical Name: [4- (1,3- benzodioxol- 5- ylmethyl)piperazin- 1- yl](1- methyl- 4- nitro- 1H- pyrazol- 3- yl)methanone
Smiles: Cn1nc(c(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 373.37
Empirical Formula: C17H19N5O5

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: -0.461
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 105
Number of rings: 4

     

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