General Information of the Compound
| Compound ID |
CP0412873
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| Compound Name |
8-chloro-7-(4-fluoro-4-phenylpiperidin-1-yl)-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C19H17ClF4N4
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| Molecular Weight |
412.818
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| Canonical SMILES |
FC(F)(F)Cc1nnc2c(Cl)c(ccn12)N1CCC(F)(CC1)c1ccccc1
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| InChI |
InChI=1S/C19H17ClF4N4/c20-16-14(6-9-28-15(12-19(22,23)24)25-26-17(16)28)27-10-7-18(21,8-11-27)13-4-2-1-3-5-13/h1-6,9H,7-8,10-12H2
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| InChIKey |
TUTUFABMXLXQMU-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