General Information of the Compound
| Compound ID |
CP0441018
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| Compound Name |
3-(cyclopropylmethyl)-7-(4-pyridin-3-ylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H22F3N5
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| Molecular Weight |
401.436
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| Canonical SMILES |
FC(F)(F)c1c(ccn2c(CC3CC3)nnc12)N1CCC(CC1)c1cccnc1
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| InChI |
InChI=1S/C21H22F3N5/c22-21(23,24)19-17(7-11-29-18(12-14-3-4-14)26-27-20(19)29)28-9-5-15(6-10-28)16-2-1-8-25-13-16/h1-2,7-8,11,13-15H,3-6,9-10,12H2
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| InChIKey |
DNYZVTRSVHODOM-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