COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552022
Chemical Name: (2R,3'E,6'R)-7-chloro-3'-[({2-[(7-chloroquinolin-4-yl)amino]ethyl}amino)methylidene]-4,6-dimethoxy-6'-methyl-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C\NCCNc2ccnc3c2ccc(c3)Cl)/C1=O)Cl

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Molecular Weight: 570.43
Empirical Formula: C28H25Cl2N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.323
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 115
Number of rings: 5

     

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