COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529101
Chemical Name: N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)isoleucine
Smiles: CCC(C(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C)C

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Molecular Weight: 573.68
Empirical Formula: C31H43NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.02
Rotatable bonds: 13
H-donors: 4
H-acceptors: 9
PSA: 167
Number of rings: 4

     

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