COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552616
Chemical Name: N~2~-{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}-L-alaninamide
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)N[C@H](C(=O)N)C)Cl

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Molecular Weight: 601.01
Empirical Formula: C29H29ClN2O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.12
Rotatable bonds: 9
H-donors: 4
H-acceptors: 10
PSA: 172
Number of rings: 5

     

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