General Information of the Compound
| Compound ID |
CP0195623
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| Compound Name |
1-(1-(4-methoxybenzyl)-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 |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1
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| InChI |
InChI=1S/C26H34N4O2/c1-31-23-8-6-21(7-9-23)19-30-25-5-3-2-4-24(25)28-26(30)29-14-10-22(11-15-29)27-18-20-12-16-32-17-13-20/h2-9,20,22,27H,10-19H2,1H3
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| InChIKey |
NMEALLMQARPNTN-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