General Information of the Compound
| Compound ID |
CP0495513
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| Compound Name |
1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine
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| Formula |
C22H26N2O
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| Molecular Weight |
334.463
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| Canonical SMILES |
C=CCN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C22H26N2O/c1-2-10-23-11-13-24(14-12-23)17-21-16-20-15-19(8-9-22(20)25-21)18-6-4-3-5-7-18/h2-9,15,21H,1,10-14,16-17H2
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| InChIKey |
NBRIRKLUFVZTEF-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