COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558158
Chemical Name: (2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-17,19-dihydroxy-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,
Smiles: CCCCOc1ccc(cc1)C(=O)Oc1c(C)c2O[C@]3(C(=O)c2c2c1C(=O)C(=C(C2=O)N1CCCCC1)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: 955.11
Empirical Formula: C53H66N2O14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.216
Rotatable bonds: 6
H-donors: 3
H-acceptors: 14
PSA: 213
Number of rings: 7

     

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