COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528176
Chemical Name: N~2~-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)asparagine
Smiles: O=C(NC(C(=O)O)CC(=O)N)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 560.64
Empirical Formula: C29H40N2O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.08
Rotatable bonds: 12
H-donors: 5
H-acceptors: 9
PSA: 190
Number of rings: 4

     

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