General Information of the Compound
| Compound ID |
CP0070654
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| Compound Name |
1-(4-methoxybenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cc(C)cn2)cc1
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| InChI |
InChI=1S/C24H27N5O/c1-18-15-25-29(16-18)20-11-13-27(14-12-20)24-26-22-5-3-4-6-23(22)28(24)17-19-7-9-21(30-2)10-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3
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| InChIKey |
PUYPQZLPNDWKQC-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