General Information of the Compound
| Compound ID |
CP0569107
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| Compound Name |
US9012461, 21
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| Structure |
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| Formula |
C24H24F3N5O
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| Molecular Weight |
455.484
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| Canonical SMILES |
NC(=O)Cc1ccccc1CCc1nc(Nc2ccc3CNCCc3c2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C24H24F3N5O/c25-24(26,27)20-14-30-23(31-19-7-5-18-13-29-10-9-17(18)11-19)32-21(20)8-6-15-3-1-2-4-16(15)12-22(28)33/h1-5,7,11,14,29H,6,8-10,12-13H2,(H2,28,33)(H,30,31,32)
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| InChIKey |
KLFSEANDDJVDJZ-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