General Information of the Compound
| Compound ID |
CP0180064
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| Compound Name |
3-Chloro-5-(3-pyridin-2-ylethynyl-cyclohex-2-enyloxy)-pyridine
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| Structure |
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| Formula |
C18H15ClN2O
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| Molecular Weight |
310.784
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| Canonical SMILES |
Clc1cncc(OC2CCCC(=C2)C#Cc2ccccn2)c1
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| InChI |
InChI=1S/C18H15ClN2O/c19-15-11-18(13-20-12-15)22-17-6-3-4-14(10-17)7-8-16-5-1-2-9-21-16/h1-2,5,9-13,17H,3-4,6H2
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| InChIKey |
PQYUZQUNWXAGHW-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