COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527332
Chemical Name: beta-hydroxy-N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(c1ccccc1)O)C(=O)O

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Molecular Weight: 609.72
Empirical Formula: C34H43NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.045
Rotatable bonds: 12
H-donors: 4
H-acceptors: 9
PSA: 167
Number of rings: 5

     

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