General Information of the Compound
| Compound ID |
CP0460026
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| Compound Name |
US9120756, 130
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| Structure |
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| Formula |
C20H16ClF4N3O
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| Molecular Weight |
425.813
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| Canonical SMILES |
Cc1c(CNC(=O)Cc2cccc(F)c2)n(nc1C(F)(F)F)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C20H16ClF4N3O/c1-12-17(11-26-18(29)9-13-4-2-6-15(22)8-13)28(27-19(12)20(23,24)25)16-7-3-5-14(21)10-16/h2-8,10H,9,11H2,1H3,(H,26,29)
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| InChIKey |
YNHVUIOJESEHFI-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