COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561783
Chemical Name: 3-(1,3-benzodioxol-5-yl)-3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{(2S)-4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahyd
Smiles: CSCC[C@@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2

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Molecular Weight: 813.97
Empirical Formula: C44H51N3O10S

Available Amount: 0 mg

Lipinsky:
logP: 5.489
Rotatable bonds: 10
H-donors: 3
H-acceptors: 10
PSA: 197
Number of rings: 7

     

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