COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005104
Chemical Name: methylN-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-3-nitrotyrosinate
Smiles: COC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C

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Molecular Weight: 668.74
Empirical Formula: C35H44N2O11

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 4.487
Rotatable bonds: 13
H-donors: 3
H-acceptors: 11
PSA: 202
Number of rings: 5

     

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