General Information of the Compound
| Compound ID |
CP0220302
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| Compound Name |
US8575364, 3
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| Structure |
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| Formula |
C17H16N2O2
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| Molecular Weight |
280.327
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| Canonical SMILES |
COc1ccc(cc1OC1CNC1)-c1ccccc1C#N
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| InChI |
InChI=1S/C17H16N2O2/c1-20-16-7-6-12(8-17(16)21-14-10-19-11-14)15-5-3-2-4-13(15)9-18/h2-8,14,19H,10-11H2,1H3
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| InChIKey |
OIMXRUAVACEGMM-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