COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528188
Chemical Name: N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)threonine
Smiles: O=C(NC(C(=O)O)C(O)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 561.63
Empirical Formula: C29H39NO10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.07
Rotatable bonds: 12
H-donors: 4
H-acceptors: 10
PSA: 184
Number of rings: 4

     

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