COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528158
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl4-oxo-4-[(pyridin-3-ylmethyl)amino]butanoate
Smiles: O=C(NCc1cccnc1)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: 550.65
Empirical Formula: C31H38N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.867
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 139
Number of rings: 5

     

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