COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838607
Chemical Name: 2-(4-chlorophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl4-bromobenzoate
Smiles: Clc1ccc(cc1)C1OC(=O)C(=C(C1(C)C)OC(=O)c1ccc(cc1)Br)C

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Molecular Weight: 449.73
Empirical Formula: C21H18BrClO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.112
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 52
Number of rings: 3

     

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