COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551782
Chemical Name: 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-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]-3-(3,4
Smiles: COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1c2CCN(Cc2c(c2c1OCO2)OC)C

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Molecular Weight: 788.89
Empirical Formula: C43H52N2O12

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.337
Rotatable bonds: 10
H-donors: 3
H-acceptors: 12
PSA: 171
Number of rings: 6

     

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