COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK180952
Chemical Name: 4-({2-bromo-4-[(1E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzoicacid
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc2c(c1)cccc2

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Molecular Weight: 527.37
Empirical Formula: C28H19BrN2O4

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 6.525
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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