COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526797
Chemical Name: (8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-oxo-4-({2-[4-phenyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethyl}amino)butanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)C(C)C)c1ccccc1

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Molecular Weight: 691.91
Empirical Formula: C41H57NO8

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 5.24
Rotatable bonds: 11
H-donors: 3
H-acceptors: 8
PSA: 139
Number of rings: 6

     

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