COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021761
Chemical Name: (3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-ylbenzenesulfonate
Smiles: O=C1O[C@H]2C([C@@H]1C)[C@H](CC(=C1C2C(=CC1=O)C)C)OS(=O)(=O)c1ccccc1

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Molecular Weight: 402.47
Empirical Formula: C21H22O6S

Physical State: Dry powder
Available Amount: 81 mg

Lipinsky:
logP: 2.346
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 95
Number of rings: 4

     

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