General Information of the Compound
| Compound ID |
CP0563786
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| Compound Name |
1-benzofuran-2-yl-(4-phenylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C19H18N2O2
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| Molecular Weight |
306.365
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| Canonical SMILES |
O=C(N1CCN(CC1)c1ccccc1)c1cc2ccccc2o1
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| InChI |
InChI=1S/C19H18N2O2/c22-19(18-14-15-6-4-5-9-17(15)23-18)21-12-10-20(11-13-21)16-7-2-1-3-8-16/h1-9,14H,10-13H2
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| InChIKey |
GRTRKCBPNPVSRA-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