COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525688
Chemical Name: 2-[(4aR,6aS,6bS,9aR)-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethylmethanesulfonate
Smiles: CCCC1O[C@H]2[C@](O1)(C(=O)COS(=O)(=O)C)[C@@]1(C(C2)C2CCC3=CC(=O)C=C[C@@]3(C2C(C1)O)C)C

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Molecular Weight: 508.63
Empirical Formula: C26H36O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.122
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 124
Number of rings: 5

     

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