COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005038
Chemical Name: (8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutanoate
Smiles: OCC(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)(C)C

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Molecular Weight: 533.66
Empirical Formula: C29H43NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.679
Rotatable bonds: 11
H-donors: 4
H-acceptors: 8
PSA: 150
Number of rings: 4

     

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