General Information of the Compound
Compound ID |
CP0350387
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Compound Name |
1-[4-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]ethanone
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Structure |
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Formula |
C20H21ClN4O2
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Molecular Weight |
384.867
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Canonical SMILES |
CC(=O)N1CCC(CC1)c1nnc2c(Oc3cccc(Cl)c3C)cccn12
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InChI |
InChI=1S/C20H21ClN4O2/c1-13-16(21)5-3-6-17(13)27-18-7-4-10-25-19(22-23-20(18)25)15-8-11-24(12-9-15)14(2)26/h3-7,10,15H,8-9,11-12H2,1-2H3
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InChIKey |
PASMMKLMVIXHBB-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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