General Information of the Compound
| Compound ID |
CP0495514
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| Compound Name |
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylpiperazine
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| Formula |
C14H19ClN2O
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| Molecular Weight |
266.772
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| Canonical SMILES |
CN1CCN(CC2Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C14H19ClN2O/c1-16-4-6-17(7-5-16)10-13-9-11-8-12(15)2-3-14(11)18-13/h2-3,8,13H,4-7,9-10H2,1H3
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| InChIKey |
RNUOFCMNVAUGMR-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