COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551727
Chemical Name: (2R,3'E,6'R)-7-chloro-4,6-dimethoxy-3'-[({4-[(6-methoxyquinolin-8-yl)amino]pentyl}amino)methylidene]-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc(NC(CCCN/C=C/2\C(=O)C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)C)c2c(c1)cccn2

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Molecular Weight: 608.09
Empirical Formula: C32H34ClN3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.153
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 125
Number of rings: 5

     

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