COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561652
Chemical Name: 3-(1,3-benzodioxol-5-yl)-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-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]propanamide
Smiles: O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCn1c(=O)c(=O)[nH]c2c1cccc2

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Molecular Weight: 697.74
Empirical Formula: C38H39N3O10

Available Amount: 0 mg

Lipinsky:
logP: 4.515
Rotatable bonds: 9
H-donors: 4
H-acceptors: 10
PSA: 180
Number of rings: 6

     

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