COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052111
Chemical Name: 3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: Brc1ccc(cc1)c1c(=O)c2ccc(c(c2oc1C(F)(F)F)C[NH+]1CCOCC1)[O-]

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Molecular Weight: 484.27
Empirical Formula: C21H17BrF3NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.837
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 63
Number of rings: 4

     

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