General Information of the Compound
| Compound ID |
CP0345657
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| Compound Name |
8-(3-chloro-2-methylphenoxy)-3-(4-methoxy-1-bicyclo[2.2.2]octanyl)-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C22H24ClN3O2
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| Molecular Weight |
397.906
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| Canonical SMILES |
COC12CCC(CC1)(CC2)c1nnc2c(Oc3cccc(Cl)c3C)cccn12
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| InChI |
InChI=1S/C22H24ClN3O2/c1-15-16(23)5-3-6-17(15)28-18-7-4-14-26-19(18)24-25-20(26)21-8-11-22(27-2,12-9-21)13-10-21/h3-7,14H,8-13H2,1-2H3
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| InChIKey |
NSCOVVCXUWEITE-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