COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547784
Chemical Name: 4-hydroxy-1-[({[(3Z,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]proline
Smiles: C#C[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N\OCC(=O)N3CC(CC3C(=O)O)O)/CC[C@]12C

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Molecular Weight: 498.62
Empirical Formula: C28H38N2O6

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.979
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 119
Number of rings: 5

     

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