COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002074
Chemical Name: (9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl4-{[2-(4-fluorophenyl)ethyl]amino}-4-oxobutanoate
Smiles: O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=CC(=O)CC[C@]12C)NCCc1ccc(cc1)F

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Molecular Weight: 567.7
Empirical Formula: C33H42FNO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.094
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 109
Number of rings: 5

     

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