COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082484
Chemical Name: 2-{[(2E)-3-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)OC)OCc1ccccc1Cl)/C(=O)Nc1ccccc1C(=O)O

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Molecular Weight: 497.33
Empirical Formula: C25H18Cl2N2O5

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 7.045
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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