COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003778
Chemical Name: 2-({[(3E,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)-N-(4-methoxybenzyl)acetamide
Smiles: COc1ccc(cc1)CNC(=O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@@]2(O)C#C)C)C

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Molecular Weight: 504.67
Empirical Formula: C31H40N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.603
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 80
Number of rings: 5

     

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