COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK145445
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4,5-dimethoxy-2-nitrobenzyl)piperazine
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)CN1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 415.45
Empirical Formula: C21H25N3O6

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 2.252
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 89
Number of rings: 4

     

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