General Information of the Compound
| Compound ID |
CP0342277
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| Compound Name |
4-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.2]octan-1-ol
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| Structure |
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| Formula |
C21H22ClN3O2
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| Molecular Weight |
383.879
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| Canonical SMILES |
Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(O)(CC1)CC2
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| InChI |
InChI=1S/C21H22ClN3O2/c1-14-15(22)4-2-5-16(14)27-17-6-3-13-25-18(17)23-24-19(25)20-7-10-21(26,11-8-20)12-9-20/h2-6,13,26H,7-12H2,1H3
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| InChIKey |
BAGSDLHAZBBSOF-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