General Information of the Compound
| Compound ID |
CP0413715
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| Compound Name |
7-(4-phenylpiperidin-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 |
C20H18F3N5
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| Molecular Weight |
385.393
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| Canonical SMILES |
FC(F)(F)Cc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C20H18F3N5/c21-20(22,23)12-18-25-26-19-16(13-24)17(8-11-28(18)19)27-9-6-15(7-10-27)14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12H2
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| InChIKey |
PBDSMSNNSQQDPD-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