COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528666
Chemical Name: (8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-[(6-{[2-(3,4-dihydroxyphenyl)ethyl]amino}-6-oxohexyl)amino]-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCCCCCC(=O)NCCc1ccc(c(c1)O)O

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Molecular Weight: 694.87
Empirical Formula: C39H54N2O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.492
Rotatable bonds: 18
H-donors: 5
H-acceptors: 9
PSA: 179
Number of rings: 5

     

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