General Information of the Compound
| Compound ID |
CP0453527
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| Compound Name |
3-(cyclopropylmethyl)-7-(4-fluoro-4-phenylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H22F4N4
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| Molecular Weight |
418.438
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(F)(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H22F4N4/c23-21(16-4-2-1-3-5-16)9-12-29(13-10-21)17-8-11-30-18(14-15-6-7-15)27-28-20(30)19(17)22(24,25)26/h1-5,8,11,15H,6-7,9-10,12-14H2
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| InChIKey |
ZWWVHLMUJGABRK-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