COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK784464
Chemical Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Smiles: O=C(C(n1ncc(c1)[N+](=O)[O-])C)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 387.4
Empirical Formula: C18H21N5O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.729
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 105
Number of rings: 4

     

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