COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562068
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-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl]propan
Smiles: COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2)C

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Molecular Weight: 755.82
Empirical Formula: C41H45N3O11

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.005
Rotatable bonds: 11
H-donors: 3
H-acceptors: 11
PSA: 182
Number of rings: 6

     

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