COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552514
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-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)propanamide
Smiles: COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CCc2c(NC1=O)cccc2

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Molecular Weight: 654.76
Empirical Formula: C38H42N2O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.362
Rotatable bonds: 6
H-donors: 4
H-acceptors: 8
PSA: 151
Number of rings: 5

     

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