COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL530941
Chemical Name: N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]threonine
Smiles: O=C(NC(C(=O)O)C(O)C)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: 476.61
Empirical Formula: C26H40N2O6

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 3.757
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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