COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526553
Chemical Name: methylN-(4-{[(8xi,9xi,14xi,17alpha)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-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)CC(O)C1C2CCC2=CC(=O)C=C[C@]12C

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Molecular Weight: 682.72
Empirical Formula: C35H42N2O12

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.242
Rotatable bonds: 14
H-donors: 4
H-acceptors: 12
PSA: 222
Number of rings: 5

     

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