COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527125
Chemical Name: beta-hydroxy-N-[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-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)CCC1C2CC[C@]2(C1CCC2O)C)C

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Molecular Weight: 569.66
Empirical Formula: C30H39N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.62
Rotatable bonds: 10
H-donors: 4
H-acceptors: 8
PSA: 174
Number of rings: 5

     

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