COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561778
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-(4-sulfamoylphenyl)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)NCCc1ccc(cc1)S(=O)(=O)N

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Molecular Weight: 692.79
Empirical Formula: C36H40N2O10S

Available Amount: 0 mg

Lipinsky:
logP: 4.368
Rotatable bonds: 8
H-donors: 5
H-acceptors: 10
PSA: 199
Number of rings: 5

     

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