General Information of the Compound
| Compound ID |
CP0010559
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| Compound Name |
US9745291, Compound 18
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
OC(CNC(=O)CNc1ccccc1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H25N3O2/c24-19(12-22-20(25)13-21-18-8-2-1-3-9-18)15-23-11-10-16-6-4-5-7-17(16)14-23/h1-9,19,21,24H,10-15H2,(H,22,25)
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| InChIKey |
HXTPDIPRABNALG-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