General Information of the Compound
| Compound ID |
CP0567064
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| Compound Name |
US9133168, Example 9d
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| Structure |
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| Formula |
C19H20F2N4O4
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| Molecular Weight |
406.389
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| Canonical SMILES |
FC(F)Oc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C19H20F2N4O4/c20-19(21)29-14-3-1-2-13-12(14)4-5-25(13)18(27)10-15-22-16(11-17(26)23-15)24-6-8-28-9-7-24/h1-3,11,19H,4-10H2,(H,22,23,26)
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| InChIKey |
WWXWCDCDJXNEGY-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