General Information of the Compound
| Compound ID |
CP0546868
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| Compound Name |
US9409917, 118
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| Structure |
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| Formula |
C16H15ClN2O3
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| Molecular Weight |
318.76
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| Canonical SMILES |
OCc1cccc(Cl)c1CNC(=O)C1COc2ncccc12
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| InChI |
InChI=1S/C16H15ClN2O3/c17-14-5-1-3-10(8-20)12(14)7-19-15(21)13-9-22-16-11(13)4-2-6-18-16/h1-6,13,20H,7-9H2,(H,19,21)
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| InChIKey |
GRDUOGMEQHALMG-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