COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551728
Chemical Name: N~2~-{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}-L-isoleucinamide
Smiles: CC[C@@H]([C@@H](C(=O)N)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1cc(OC)c(c(c1)OC)OC)C

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Molecular Weight: 668.78
Empirical Formula: C36H48N2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.603
Rotatable bonds: 10
H-donors: 5
H-acceptors: 10
PSA: 183
Number of rings: 3

     

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