General Information of the Compound
| Compound ID |
CP0180066
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| Compound Name |
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C17H20N2O2
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| Molecular Weight |
284.359
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc1ccccn1
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| InChI |
InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-12-9-14(10-13-19)7-8-15-6-4-5-11-18-15/h4-6,9,11H,10,12-13H2,1-3H3
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| InChIKey |
IOIBVLAFLPJENL-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