COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380518
Chemical Name: 2-({(2E)-3-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyanoprop-2-enoyl}amino)benzoicacid
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCc1cccc2c1cccc2)/C(=O)Nc1ccccc1C(=O)O

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Molecular Weight: 527.37
Empirical Formula: C28H19BrN2O4

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 7.645
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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