COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003444
Chemical Name: 4-oxo-4-{[(8xi,9xi,14xi)-3-oxopregn-4-en-20-yn-17-yl]oxy}butanoicacid
Smiles: C#C[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)CCC(=O)O

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Molecular Weight: 412.53
Empirical Formula: C25H32O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.081
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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