COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528927
Chemical Name: beta-hydroxy-N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-3-nitrophenylalanine
Smiles: O=C(NC(C(c1cccc(c1)[N+](=O)[O-])O)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 668.7
Empirical Formula: C34H40N2O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.473
Rotatable bonds: 13
H-donors: 4
H-acceptors: 12
PSA: 230
Number of rings: 5

     

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