COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK888307
Chemical Name: 4-bromo-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl4-nitrobenzoate
Smiles: COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 482.29
Empirical Formula: C23H16BrNO6

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.875
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 98
Number of rings: 3

     

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