General Information of the Compound
| Compound ID |
CP0141465
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| Compound Name |
1-pentyl-4-(2-phenylmethoxyphenyl)imidazol-2-amine;hydrochloride
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| Formula |
C21H26ClN3O
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| Molecular Weight |
371.912
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| Canonical SMILES |
Cl.CCCCCn1cc(nc1N)-c1ccccc1OCc1ccccc1
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| InChI |
InChI=1S/C21H25N3O.ClH/c1-2-3-9-14-24-15-19(23-21(24)22)18-12-7-8-13-20(18)25-16-17-10-5-4-6-11-17;/h4-8,10-13,15H,2-3,9,14,16H2,1H3,(H2,22,23);1H
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| InChIKey |
BXTXRTYCGTUURB-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: PT04438, Toll-like receptor 2
Protein ID: PT06080, Toll-like receptor 3
Protein ID: PT03343, Toll-like receptor 4
Protein ID: PT06115, Toll-like receptor 5
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9