General Information of the Compound
| Compound ID |
CP0516548
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| Compound Name |
5-[1-(azetidin-3-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
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| Structure |
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| Formula |
C25H31N3O2
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| Molecular Weight |
405.542
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| Canonical SMILES |
COc1ccc(cc1OC)-c1[nH]c2ccc(cc2c1C)C1CCN(CC1)C1CNC1
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| InChI |
InChI=1S/C25H31N3O2/c1-16-21-12-18(17-8-10-28(11-9-17)20-14-26-15-20)4-6-22(21)27-25(16)19-5-7-23(29-2)24(13-19)30-3/h4-7,12-13,17,20,26-27H,8-11,14-15H2,1-3H3
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| InChIKey |
GKHRYAQSYJDANG-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