COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528181
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)O

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Molecular Weight: 581.71
Empirical Formula: C33H43NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.704
Rotatable bonds: 12
H-donors: 4
H-acceptors: 8
PSA: 150
Number of rings: 5

     

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