General Information of the Compound
| Compound ID |
CP0572227
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| Compound Name |
N-methyl-2-[4-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)piperidin-1-yl]ethanamine
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| Structure |
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| Formula |
C22H28N4
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| Molecular Weight |
348.494
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccnc1
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| InChI |
InChI=1S/C22H28N4/c1-16-20-14-18(17-7-11-26(12-8-17)13-10-23-2)5-6-21(20)25-22(16)19-4-3-9-24-15-19/h3-6,9,14-15,17,23,25H,7-8,10-13H2,1-2H3
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| InChIKey |
AILWZTCYOJLQDP-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: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9