General Information of the Compound
| Compound ID |
CP0526911
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| Compound Name |
2-(3,4-dimethoxyphenyl)-3-methyl-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-1H-indole
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
COc1ccc(cc1OC)-c1[nH]c2ccc(cc2c1C)C1CCN(Cc2cnc(C)[nH]2)CC1
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| InChI |
InChI=1S/C27H32N4O2/c1-17-23-13-20(19-9-11-31(12-10-19)16-22-15-28-18(2)29-22)5-7-24(23)30-27(17)21-6-8-25(32-3)26(14-21)33-4/h5-8,13-15,19,30H,9-12,16H2,1-4H3,(H,28,29)
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| InChIKey |
XTPBWHISLHDICT-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: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9