General Information of the Compound
| Compound ID |
CP0558639
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| Compound Name |
1-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C24H28N2O3
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| Molecular Weight |
392.499
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| Canonical SMILES |
COc1ccc(cc1OC)-c1[nH]c2ccc(cc2c1C)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C24H28N2O3/c1-15-20-13-18(17-9-11-26(12-10-17)16(2)27)5-7-21(20)25-24(15)19-6-8-22(28-3)23(14-19)29-4/h5-8,13-14,17,25H,9-12H2,1-4H3
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| InChIKey |
UPDYWYFZJKAQDZ-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