COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528668
Chemical Name: N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-O-methyltyrosine
Smiles: COc1ccc(cc1)CC(C(=O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 623.74
Empirical Formula: C35H45NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.613
Rotatable bonds: 11
H-donors: 3
H-acceptors: 9
PSA: 156
Number of rings: 5

     

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