COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562086
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-hydroxyethyl)propanamide
Smiles: OCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2

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Molecular Weight: 553.61
Empirical Formula: C30H35NO9

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.514
Rotatable bonds: 9
H-donors: 4
H-acceptors: 9
PSA: 151
Number of rings: 4

     

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