COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561632
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-[(1S)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)butyl]propanamide
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](c1nc2c(n1C)cccc2)CC(C)C

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Molecular Weight: 695.86
Empirical Formula: C41H49N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.811
Rotatable bonds: 8
H-donors: 3
H-acceptors: 7
PSA: 139
Number of rings: 5

     

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