COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526177
Chemical Name: (3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-ylbutanoate
Smiles: CCCC(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)C(=CC2=O)C)C

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Molecular Weight: 332.4
Empirical Formula: C19H24O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.684
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 69
Number of rings: 3

     

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