COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561549
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-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}propanamide
Smiles: OCc1nc2c(n1CCNC(=O)CC(c1c(O)cc3c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/3)c1ccc3c(c1)OCO3)cccc2

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Molecular Weight: 683.76
Empirical Formula: C38H41N3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.372
Rotatable bonds: 11
H-donors: 4
H-acceptors: 9
PSA: 169
Number of rings: 6

     

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