COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522686
Chemical Name: 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3,5-diiodophenyl}-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cc(I)c(c(c1)I)OCc1ccc(cc1)Cl)/C(=O)Nc1cccc(c1)C(=O)O

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Molecular Weight: 684.66
Empirical Formula: C24H15ClI2N2O4

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 7.439
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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