COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444506
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4-methyl-3,5-dinitrophenyl)methanone
Smiles: O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 428.4
Empirical Formula: C20H20N4O7

Physical State: Dry powder
Available Amount: 482 mg

Lipinsky:
logP: 1.97
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 133
Number of rings: 4

     

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