COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558151
Chemical Name: (2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-8-(piperidin-1-yl)-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trieno
Smiles: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)N1CCCCC1

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Molecular Weight: 778.9
Empirical Formula: C42H54N2O12

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.382
Rotatable bonds: 2
H-donors: 4
H-acceptors: 12
PSA: 198
Number of rings: 6

     

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