COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552091
Chemical Name: N~3~-{3-(1,3-benzodioxol-5-yl)-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]propanoyl}-N-pyridin-2-yl-beta-alaninamide
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCC(=O)Nc1ccccn1)Cl

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Molecular Weight: 678.09
Empirical Formula: C34H32ClN3O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.143
Rotatable bonds: 10
H-donors: 3
H-acceptors: 10
PSA: 171
Number of rings: 6

     

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