COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562112
Chemical Name: (2R,3'E,6'R)-7-chloro-3'-{1-[(2-hydroxyethyl)amino]ethylidene}-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: OCCN/C(=C/1\C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)/C

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Molecular Weight: 423.85
Empirical Formula: C20H22ClNO7

Available Amount: 0 mg

Lipinsky:
logP: 3.097
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 111
Number of rings: 3

     

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