COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528842
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1

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Molecular Weight: 675.86
Empirical Formula: C40H53NO8

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.914
Rotatable bonds: 10
H-donors: 2
H-acceptors: 8
PSA: 136
Number of rings: 6

     

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