General Information of the Compound
| Compound ID |
CP0528788
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| Compound Name |
2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine
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| Structure |
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| Formula |
C20H20N2
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| Molecular Weight |
288.394
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| Canonical SMILES |
Cc1cccc(n1)C#CC=C1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C20H20N2/c1-17-7-5-9-19(21-17)10-6-8-18-13-15-22(16-14-18)20-11-3-2-4-12-20/h2-5,7-9,11-12H,13-16H2,1H3
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| InChIKey |
PGDZTLDIKMARHN-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