General Information of the Compound
| Compound ID |
CP0495511
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| Compound Name |
1-phenyl-4-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
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| Structure |
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| Formula |
C25H26N2O
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| Molecular Weight |
370.496
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| Canonical SMILES |
C(C1Cc2cc(ccc2O1)-c1ccccc1)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C25H26N2O/c1-3-7-20(8-4-1)21-11-12-25-22(17-21)18-24(28-25)19-26-13-15-27(16-14-26)23-9-5-2-6-10-23/h1-12,17,24H,13-16,18-19H2
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| InChIKey |
WKZKDHYYDPAMKB-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