COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL565570
Chemical Name: N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]alanine
Smiles: O=C(NC(C(=O)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: 446.59
Empirical Formula: C25H38N2O5

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 4.24
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 108
Number of rings: 4

     

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