COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL509889
Chemical Name: methyl4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-hydroxy-2,7,7-trimethyl-4,6,7,8-tetrahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)N=C2C(=C(O)CC(C2)(C)C)C1c1cc(Br)c(c(c1)OC)O

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Molecular Weight: 450.33
Empirical Formula: C21H24BrNO5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.216
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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