COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373533
Chemical Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl][4-(2,4-dinitrophenyl)-2-methylpiperazin-1-yl]methanone
Smiles: COc1cc(N(C)C)c(cc1C(=O)N1CCN(CC1C)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 488.46
Empirical Formula: C21H24N6O8

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 4.255
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 173
Number of rings: 3

     

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