General Information of the Compound
| Compound ID |
CP0495515
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| Compound Name |
1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
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| Formula |
C23H30N2O
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| Molecular Weight |
350.506
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| Canonical SMILES |
CC(C)(C)c1ccc2OC(CN3CCN(CC3)c3ccccc3)Cc2c1
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| InChI |
InChI=1S/C23H30N2O/c1-23(2,3)19-9-10-22-18(15-19)16-21(26-22)17-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3
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| InChIKey |
DJJYMRGYBSNEHG-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
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor