General Information of the Compound
| Compound ID |
CP0003051
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| Compound Name |
US9745291, Compound 1
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| Structure |
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| Formula |
C20H24N2O3
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| Molecular Weight |
340.423
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| Canonical SMILES |
OC(CNC(=O)COc1ccccc1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H24N2O3/c23-18(12-21-20(24)15-25-19-8-2-1-3-9-19)14-22-11-10-16-6-4-5-7-17(16)13-22/h1-9,18,23H,10-15H2,(H,21,24)
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| InChIKey |
HLELTZAGWIXRNB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound