COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527374
Chemical Name: 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-{[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-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)CCC1C2CC[C@]2(C1CCC2O)C)C

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Molecular Weight: 544.73
Empirical Formula: C31H48N2O6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.502
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 117
Number of rings: 5

     

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