COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526866
Chemical Name: 2-({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-[2-(1,2,5-trimethyl-4-phenylpiperidin-4-yl)ethyl]acetamide
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NCCC3(CC(C)N(CC3C)C)c3ccccc3)/CC[C@]12C

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Molecular Weight: 613.88
Empirical Formula: C39H55N3O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.071
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 74
Number of rings: 6

     

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