General Information of the Compound
| Compound ID |
CP0388430
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| Compound Name |
2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C24H29N3O2/c1-16-20-13-18(17-7-10-27(11-8-17)12-9-25-2)3-5-21(20)26-24(16)19-4-6-22-23(14-19)29-15-28-22/h3-6,13-14,17,25-26H,7-12,15H2,1-2H3
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| InChIKey |
KHPAKZBEZQECBS-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