COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552027
Chemical Name: N-[4-(acetylamino)phenyl]-N~3~-{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-(3,4,5-trimethoxyphenyl)propanoyl}-beta-alaninamide
Smiles: COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCC(=O)Nc1ccc(cc1)NC(=O)C

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Molecular Weight: 759.85
Empirical Formula: C41H49N3O11

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 3.303
Rotatable bonds: 10
H-donors: 5
H-acceptors: 11
PSA: 198
Number of rings: 4

     

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