General Information of the Compound
| Compound ID |
CP0493639
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| Compound Name |
7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
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| Structure |
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| Formula |
C21H19F4N5O
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| Molecular Weight |
433.409
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| Canonical SMILES |
COc1c(F)cccc1C1CCN(CC1)c1ccn2c(CC(F)(F)F)nnc2c1C#N
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| InChI |
InChI=1S/C21H19F4N5O/c1-31-19-14(3-2-4-16(19)22)13-5-8-29(9-6-13)17-7-10-30-18(11-21(23,24)25)27-28-20(30)15(17)12-26/h2-4,7,10,13H,5-6,8-9,11H2,1H3
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| InChIKey |
KIKMVMBYJOLYAG-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