COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552229
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]-N-[1-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)piperidin-4-yl]-3-(3,4,5-trimethoxyphenyl)
Smiles: COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CCN(CC1)C1CCc2c(N=C1O)cccc2

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Molecular Weight: 797.95
Empirical Formula: C45H55N3O10

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.095
Rotatable bonds: 9
H-donors: 4
H-acceptors: 10
PSA: 176
Number of rings: 6

     

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