COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551906
Chemical Name: 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]-3-(4-methoxyphenyl)-N-{(2S)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[
Smiles: COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C

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Molecular Weight: 739.87
Empirical Formula: C42H49N3O9

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 4.671
Rotatable bonds: 7
H-donors: 3
H-acceptors: 9
PSA: 162
Number of rings: 6

     

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