General Information of the Compound
| Compound ID |
CP0557305
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| Compound Name |
US8969325, 132
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| Structure |
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| Formula |
C20H18F3N3O4
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| Molecular Weight |
421.375
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| Canonical SMILES |
FC(F)(F)c1ccc2CCC(CNC(=O)Nc3ccc4OCC(=O)Nc4c3)Oc2c1
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| InChI |
InChI=1S/C20H18F3N3O4/c21-20(22,23)12-3-1-11-2-5-14(30-17(11)7-12)9-24-19(28)25-13-4-6-16-15(8-13)26-18(27)10-29-16/h1,3-4,6-8,14H,2,5,9-10H2,(H,26,27)(H2,24,25,28)
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| InChIKey |
LCJDCXRHRYGMIM-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