COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529374
Chemical Name: (2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5-[(ethoxycarbonyl)oxy]-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trie
Smiles: CCOC(=O)Oc1c(C)c2O[C@]3(C(=O)c2c2c1C(=O)C(=CC2=O)NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H](/C=C/O3)OC)C)OC(=O)C)C)O)C)/C)C

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Molecular Weight: 767.83
Empirical Formula: C40H49NO14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.998
Rotatable bonds: 5
H-donors: 3
H-acceptors: 14
PSA: 210
Number of rings: 5

     

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