COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688973
Chemical Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile
Smiles: N#Cc1cc([N+](=O)[O-])c(cc1C#N)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 391.39
Empirical Formula: C20H17N5O4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 2.995
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 118
Number of rings: 4

     

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