General Information of the Compound
| Compound ID |
CP0044825
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| Compound Name |
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid phenyl ester
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| Structure |
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| Formula |
C19H16N2O2
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| Molecular Weight |
304.349
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| Canonical SMILES |
O=C(Oc1ccccc1)N1CCC(=CC1)C#Cc1ccccn1
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| InChI |
InChI=1S/C19H16N2O2/c22-19(23-18-7-2-1-3-8-18)21-14-11-16(12-15-21)9-10-17-6-4-5-13-20-17/h1-8,11,13H,12,14-15H2
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| InChIKey |
VTXFDYQINNVIHN-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