COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527210
Chemical Name: N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Smiles: O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)O)Cc1ccccc1

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Molecular Weight: 607.7
Empirical Formula: C34H41NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.396
Rotatable bonds: 11
H-donors: 3
H-acceptors: 9
PSA: 164
Number of rings: 5

     

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