COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527545
Chemical Name: N-[({[(3E,8xi,9xi,14xi)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]serine
Smiles: OCC(C(=O)O)NC(=O)CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC[C@]2(O)C#C)C)C

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Molecular Weight: 472.58
Empirical Formula: C26H36N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.257
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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