COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526915
Chemical Name: beta-hydroxy-N-[({[(3E,8xi,9xi,14xi,17alpha)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]-3-nitrophenylalanine
Smiles: C#C[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2=C/C(=N/OCC(=O)NC(C(c3cccc(c3)[N+](=O)[O-])O)C(=O)O)/CC[C@]12C

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Molecular Weight: 593.68
Empirical Formula: C32H39N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.008
Rotatable bonds: 10
H-donors: 4
H-acceptors: 8
PSA: 174
Number of rings: 5

     

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