General Information of the Compound
| Compound ID |
CP0438698
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| Compound Name |
1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine
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| Structure |
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| Formula |
C21H30N2
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| Molecular Weight |
310.485
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| Canonical SMILES |
C(CN1CCCCC1)C#Cc1cccc(CN2CCCCC2)c1
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| InChI |
InChI=1S/C21H30N2/c1-4-13-22(14-5-1)15-8-3-10-20-11-9-12-21(18-20)19-23-16-6-2-7-17-23/h9,11-12,18H,1-2,4-8,13-17,19H2
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| InChIKey |
UIDQQTHLSRGAPO-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