General Information of the Compound
| Compound ID |
CP0391089
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| Compound Name |
1-benzyl-4-[2-(1H-imidazol-5-yl)ethyl]piperidine
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| Structure |
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| Formula |
C17H23N3
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| Molecular Weight |
269.392
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| Canonical SMILES |
C(Cc1c[nH]cn1)C1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C17H23N3/c1-2-4-16(5-3-1)13-20-10-8-15(9-11-20)6-7-17-12-18-14-19-17/h1-5,12,14-15H,6-11,13H2,(H,18,19)
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| InChIKey |
NKMDTVBCCZUNIE-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