General Information of the Compound
| Compound ID |
CP0466714
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| Compound Name |
US8853203, 99b
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| Structure |
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| Formula |
C23H19F3N6O
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| Molecular Weight |
452.44
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| Canonical SMILES |
FC(F)(F)c1cc([nH]n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
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| InChI |
InChI=1S/C23H19F3N6O/c24-23(25,26)20-8-17(29-30-20)15-2-1-3-16-14(15)6-7-32-19(16)9-21(27-10-22(32)33)31-11-18(28-12-31)13-4-5-13/h1-3,8-9,11-13H,4-7,10H2,(H,29,30)
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| InChIKey |
FJLIIOCPJHAEGZ-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