General Information of the Compound
| Compound ID |
CP0578096
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| Compound Name |
US9278960, 4-78
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| Structure |
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| Formula |
C22H24F3N5O2
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| Molecular Weight |
447.461
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
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| InChI |
InChI=1S/C22H24F3N5O2/c1-13(2)30-11-15(9-27-30)17-8-19(21(26)31)28-18-7-14(3-4-16(17)18)10-29-5-6-32-20(12-29)22(23,24)25/h3-4,7-9,11,13,20H,5-6,10,12H2,1-2H3,(H2,26,31)
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| InChIKey |
GFEZVIMLGYOWCZ-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