General Information of the Compound
| Compound ID |
CP0451567
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| Compound Name |
7-[[4-(2-chlorophenyl)piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C23H24ClF3N4
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| Molecular Weight |
448.92
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| Canonical SMILES |
FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2Cl)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C23H24ClF3N4/c24-19-4-2-1-3-18(19)16-7-10-30(11-8-16)14-17-9-12-31-20(13-15-5-6-15)28-29-22(31)21(17)23(25,26)27/h1-4,9,12,15-16H,5-8,10-11,13-14H2
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| InChIKey |
VVCFNYLUZTZIDJ-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