COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL566342
Chemical Name: N-(furan-2-ylmethyl)-2-({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetamide
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)NCc3ccco3)/CC[C@]12C

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Molecular Weight: 464.6
Empirical Formula: C28H36N2O4

Physical State: Liquid
Available Amount: 80 mg

Lipinsky:
logP: 4.849
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 84
Number of rings: 5

     

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