General Information of the Compound
| Compound ID |
CP0311769
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| Compound Name |
2-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cycloheptan-1-ol
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| Structure |
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| Formula |
C20H22ClN3O2
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| Molecular Weight |
371.868
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| Canonical SMILES |
Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C1CCCCCC1O
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| InChI |
InChI=1S/C20H22ClN3O2/c1-13-15(21)8-5-10-17(13)26-18-11-6-12-24-19(22-23-20(18)24)14-7-3-2-4-9-16(14)25/h5-6,8,10-12,14,16,25H,2-4,7,9H2,1H3
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| InChIKey |
JGUHONHSPUGTCT-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