COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK404987
Chemical Name: 3-butan-2-yl6-methyl4-(4-hydroxy-3,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCC(OC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)O)C(=O)C(C(C2)C)C(=O)OC)C

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Molecular Weight: 487.55
Empirical Formula: C26H33NO8

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 2.087
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 120
Number of rings: 3

     

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