COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562080
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]-3-(4-methoxyphenyl)-N-{3-(methylsulfanyl)-1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propyl}p
Smiles: CSCCC(c1onc(n1)c1ccccn1)NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc(cc1)OC

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Molecular Weight: 728.87
Empirical Formula: C39H44N4O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.074
Rotatable bonds: 11
H-donors: 3
H-acceptors: 8
PSA: 199
Number of rings: 5

     

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