General Information of the Compound
| Compound ID |
CP0540174
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| Compound Name |
2-[4-[2-(3-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C24H31N3O
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| Molecular Weight |
377.532
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccc(OC)c1
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| InChI |
InChI=1S/C24H31N3O/c1-17-22-16-19(18-9-12-27(13-10-18)14-11-25-2)7-8-23(22)26-24(17)20-5-4-6-21(15-20)28-3/h4-8,15-16,18,25-26H,9-14H2,1-3H3
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| InChIKey |
PBWOYZALOXLQQU-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