General Information of the Compound
| Compound ID |
CP0388369
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| Compound Name |
(4-methylpiperidin-1-yl)(4-(2-phenylethynyl)phenyl)methanone
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| Structure |
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| Formula |
C21H21NO
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| Molecular Weight |
303.405
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| Canonical SMILES |
CC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
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| InChI |
InChI=1S/C21H21NO/c1-17-13-15-22(16-14-17)21(23)20-11-9-19(10-12-20)8-7-18-5-3-2-4-6-18/h2-6,9-12,17H,13-16H2,1H3
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| InChIKey |
ZOOFBTWTCRPFRH-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