COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527102
Chemical Name: (8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)C[C@H](O)C1C2CCC2=CC(=O)C=C[C@]12C)NCCC1(CCOC(C1)(C)C)c1ccccc1

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Molecular Weight: 675.86
Empirical Formula: C40H53NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.971
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 139
Number of rings: 6

     

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