COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL439490
Chemical Name: dipropan-2-yl2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Smiles: CC(OC(=O)C1C(=O)CC(C(C1c1ccc2c(c1)OCO2)C(=O)OC(C)C)(C)O)C

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Molecular Weight: 420.46
Empirical Formula: C22H28O8

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 3.47
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 108
Number of rings: 3

     

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