COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686925
Chemical Name: 1-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one
Smiles: O=C(c1ccc2c(c1)OCO2)CC(c1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 446.5
Empirical Formula: C26H26N2O5

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 6.134
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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