COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183606
Chemical Name: 4-({4-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-2-iodophenoxy}methyl)benzoicacid
Smiles: N#C/C(=C\c1ccc(c(c1)I)OCc1ccc(cc1)C(=O)O)/C(=O)N1CCOCC1

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Molecular Weight: 518.31
Empirical Formula: C22H19IN2O5

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.267
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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