COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528489
Chemical Name: 4-{[N-(4-{[(8xi,9xi,10xi,13xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)valyl]amino}-2-hydroxy-3,3-dimethylbutanoicacid
Smiles: O=C(NC(C(=O)NCC(C(C(=O)O)O)(C)C)C(C)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C

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Molecular Weight: 690.83
Empirical Formula: C36H54N2O11

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.32
Rotatable bonds: 17
H-donors: 6
H-acceptors: 11
PSA: 216
Number of rings: 4

     

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