General Information of the Compound
| Compound ID |
CP0152545
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| Compound Name |
1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-amine
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| Structure |
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| Formula |
C25H31FN4O
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| Molecular Weight |
422.548
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| Canonical SMILES |
Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
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| InChI |
InChI=1S/C25H31FN4O/c26-21-7-5-20(6-8-21)18-30-24-4-2-1-3-23(24)28-25(30)29-13-9-22(10-14-29)27-17-19-11-15-31-16-12-19/h1-8,19,22,27H,9-18H2
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| InChIKey |
GHZHZIJXYOTTAA-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: PT01206, Histamine H1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2