COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526050
Chemical Name: (8xi,9xi,14xi)-11,17-dihydroxy-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)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(c(c1)O)O

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Molecular Weight: 597.71
Empirical Formula: C33H43NO9

Available Amount: 0 mg

Lipinsky:
logP: 2.39
Rotatable bonds: 13
H-donors: 5
H-acceptors: 9
PSA: 170
Number of rings: 5

     

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