General Information of the Compound
| Compound ID |
CP0445531
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-[4-phenyl-4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H22ClF3N4
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| Molecular Weight |
434.893
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| Canonical SMILES |
FC(F)(F)C1(CCN(CC1)c1ccn2c(CC3CC3)nnc2c1Cl)c1ccccc1
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| InChI |
InChI=1S/C22H22ClF3N4/c23-19-17(8-11-30-18(14-15-6-7-15)27-28-20(19)30)29-12-9-21(10-13-29,22(24,25)26)16-4-2-1-3-5-16/h1-5,8,11,15H,6-7,9-10,12-14H2
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| InChIKey |
QSMXXTRLUCIQSH-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