COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527009
Chemical Name: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]amino}propanoicacid
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C3CCOC(C3)(C)C)CC(=O)O)/CC[C@]12C

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Molecular Weight: 568.75
Empirical Formula: C33H48N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.89
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 117
Number of rings: 5

     

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