General Information of the Compound
| Compound ID |
CP0388225
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| Compound Name |
4-((1H-Imidazol-4-yl)methyl)-1-(4-tert-butylphenyl)piperidine
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| Structure |
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| Formula |
C19H27N3
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| Molecular Weight |
297.446
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
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| InChI |
InChI=1S/C19H27N3/c1-19(2,3)16-4-6-18(7-5-16)22-10-8-15(9-11-22)12-17-13-20-14-21-17/h4-7,13-15H,8-12H2,1-3H3,(H,20,21)
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| InChIKey |
NBNVWUUSIXACRE-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