General Information of the Compound
| Compound ID |
CP0409309
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| Compound Name |
US9409917, 41
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| Structure |
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| Formula |
C17H16Cl2N2O3
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| Molecular Weight |
367.232
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| Canonical SMILES |
Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2c1ccc[n+]2[O-]
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| InChI |
InChI=1S/C17H16Cl2N2O3/c1-10-7-11(18)8-15(19)14(10)9-20-16(22)12-4-6-24-17-13(12)3-2-5-21(17)23/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,20,22)
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| InChIKey |
IHUMLMYNMNIYPT-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