COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529056
Chemical Name: N-(4-{[(8xi,9xi,11beta,14xi)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-beta-hydroxy-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)C[C@H](O)C1C2CCC2=CC(=O)C=C[C@]12C

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Molecular Weight: 668.7
Empirical Formula: C34H40N2O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.53
Rotatable bonds: 13
H-donors: 5
H-acceptors: 12
PSA: 233
Number of rings: 5

     

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