General Information of the Compound
| Compound ID |
CP0565501
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| Compound Name |
8-chloro-3-(cyclopropylmethyl)-7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine
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| Structure |
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| Formula |
C17H16ClN3O
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| Molecular Weight |
313.788
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| Canonical SMILES |
Clc1c(OCc2ccccc2)ccn2c(CC3CC3)nnc12
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| InChI |
InChI=1S/C17H16ClN3O/c18-16-14(22-11-13-4-2-1-3-5-13)8-9-21-15(10-12-6-7-12)19-20-17(16)21/h1-5,8-9,12H,6-7,10-11H2
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| InChIKey |
ISTPJVXWJXKZCU-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