COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK378542
Chemical Name: 4-bromo-N-[(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)(4-nitrophenyl)methyl]aniline
Smiles: Brc1ccc(cc1)NC(P1(=S)OCC(CO1)(C)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 471.31
Empirical Formula: C18H20BrN2O4PS

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 5.992
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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