General Information of the Compound
| Compound ID |
CP0565293
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| Compound Name |
US8686018, 104
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| Structure |
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| Formula |
C23H20F3N3O4
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| Molecular Weight |
459.424
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| Canonical SMILES |
Cc1nn(C)c(Oc2cccc(c2)C(F)(F)F)c1C(=O)NC1(CC1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H20F3N3O4/c1-13-18(19(30)27-22(10-11-22)15-8-6-14(7-9-15)21(31)32)20(29(2)28-13)33-17-5-3-4-16(12-17)23(24,25)26/h3-9,12H,10-11H2,1-2H3,(H,27,30)(H,31,32)
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| InChIKey |
XCJDJVFPPOKBIU-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