COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528021
Chemical Name: N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)alanine
Smiles: O=C(NC(C(=O)O)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 517.62
Empirical Formula: C28H39NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.854
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 147
Number of rings: 4

     

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