COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL176293
Chemical Name: (2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[3-(4-chlorophenoxy)-5-nitrophenyl]prop-2-enamide
Smiles: COc1ccc(cc1COc1ccc(cc1)Br)/C=C/C(=O)Nc1cc(Oc2ccc(cc2)Cl)cc(c1)[N+](=O)[O-]

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Molecular Weight: 609.86
Empirical Formula: C29H22BrClN2O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 10.011
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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