COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007809
Chemical Name: beta-hydroxy-N-[({[(3E,9xi,14xi,17beta)-17-hydroxy-17-methylandrost-4-en-3-ylidene]amino}oxy)acetyl]-3-nitrophenylalanine
Smiles: O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=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: 583.68
Empirical Formula: C31H41N3O8

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.16
Rotatable bonds: 10
H-donors: 4
H-acceptors: 8
PSA: 174
Number of rings: 5

     

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