COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550393
Chemical Name: methyl3-(1,3-benzodioxol-5-yl)-3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)propanoate
Smiles: COC(=O)CC(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc2c(c1)OCO2

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Molecular Weight: 544.94
Empirical Formula: C27H25ClO10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.661
Rotatable bonds: 8
H-donors: 1
H-acceptors: 10
PSA: 126
Number of rings: 5

     

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