COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528030
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl4-{[2-(4-hydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)O

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Molecular Weight: 579.69
Empirical Formula: C33H41NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.004
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 147
Number of rings: 5

     

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