General Information of the Compound
| Compound ID |
CP0545003
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| Compound Name |
US9409917, 40
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| Structure |
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| Formula |
C17H14ClF3N2O2
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| Molecular Weight |
370.758
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| Canonical SMILES |
FC(F)(F)c1cccc(CNC(=O)C2CCOc3ncccc23)c1Cl
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| InChI |
InChI=1S/C17H14ClF3N2O2/c18-14-10(3-1-5-13(14)17(19,20)21)9-23-15(24)11-6-8-25-16-12(11)4-2-7-22-16/h1-5,7,11H,6,8-9H2,(H,23,24)
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| InChIKey |
TXEBNCWNZYHMND-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