General Information of the Compound
| Compound ID |
CP0418459
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| Compound Name |
4-(4-((1H-Imidazol-4-yl)methyl)piperidin-1-yl)-N-methylaniline
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| Structure |
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| Formula |
C16H22N4
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| Molecular Weight |
270.38
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| Canonical SMILES |
CNc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
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| InChI |
InChI=1S/C16H22N4/c1-17-14-2-4-16(5-3-14)20-8-6-13(7-9-20)10-15-11-18-12-19-15/h2-5,11-13,17H,6-10H2,1H3,(H,18,19)
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| InChIKey |
NBMDOIDXQULZMB-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