COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK295932
Chemical Name: 5,5'-[benzene-1,3-diylbis(oxy)]bis[2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-1H-isoindole-1,3(2H)-dione]
Smiles: O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)/C=C/C(=O)c1ccccc1)Oc1cccc(c1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)/C=C/C(=O)c1ccccc1

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Molecular Weight: 812.83
Empirical Formula: C52H32N2O8

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 10.154
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 127
Number of rings: 9

     

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