COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK138556
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-nitrophenyl)methanone
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Saltdata: C2H2O4
Molecular Weight: 369.38
Empirical Formula: C19H19N3O5

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 1.711
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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