General Information of the Compound
| Compound ID |
CP0475736
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| Compound Name |
3-(cyclopropylmethyl)-7-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C23H23F5N4
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| Molecular Weight |
450.455
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| Canonical SMILES |
Fc1cccc(F)c1C1CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1
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| InChI |
InChI=1S/C23H23F5N4/c24-17-2-1-3-18(25)20(17)15-6-9-31(10-7-15)13-16-8-11-32-19(12-14-4-5-14)29-30-22(32)21(16)23(26,27)28/h1-3,8,11,14-15H,4-7,9-10,12-13H2
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| InChIKey |
FGGGMFHQRRVFJH-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