COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007480
Chemical Name: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}propanoicacid
Smiles: O=C(NC(C1CCOC(C1)(C)C)CC(=O)O)CO/N=C/1\CC[C@]2(C(=C1)CC[C@@H]1C2CC[C@]2(C1CC[C@]2(C)O)C)C

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Molecular Weight: 558.76
Empirical Formula: C32H50N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.042
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 117
Number of rings: 5

     

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