General Information of the Compound
| Compound ID |
CP0436758
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| Compound Name |
3-cycloheptyl-8-[(2,6-dichlorophenyl)methoxymethyl]-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C21H23Cl2N3O
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| Molecular Weight |
404.341
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| Canonical SMILES |
Clc1cccc(Cl)c1COCc1cccn2c(nnc12)C1CCCCCC1
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| InChI |
InChI=1S/C21H23Cl2N3O/c22-18-10-5-11-19(23)17(18)14-27-13-16-9-6-12-26-20(24-25-21(16)26)15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8,13-14H2
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| InChIKey |
AGNBBQXIFJWIMQ-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