COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL558191
Chemical Name: (2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-8-(2,6-dimethylmorpholin-4-yl)-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-(epoxy
Smiles: CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)c2ccccc2Cl)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)N1CC(C)OC(C1)C

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Molecular Weight: 947.48
Empirical Formula: C50H59ClN2O14

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.037
Rotatable bonds: 4
H-donors: 3
H-acceptors: 14
PSA: 213
Number of rings: 7

     

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