General Information of the Compound
| Compound ID |
CP0428805
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| Compound Name |
US9409917, 37
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| Structure |
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| Formula |
C17H17ClN2O2
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| Molecular Weight |
316.788
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)C1CCOc2ncccc12
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| InChI |
InChI=1S/C17H17ClN2O2/c1-20(11-12-4-6-13(18)7-5-12)17(21)15-8-10-22-16-14(15)3-2-9-19-16/h2-7,9,15H,8,10-11H2,1H3
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| InChIKey |
KAJBEUUBNBSJGV-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