General Information of the Compound
| Compound ID |
CP0526910
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| Compound Name |
2-[4-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C26H32F3N3O2
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| Molecular Weight |
475.555
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(CC(F)(F)F)c2c1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C26H32F3N3O2/c1-30-10-13-32-11-8-17(9-12-32)18-4-6-22-20(14-18)21(16-26(27,28)29)25(31-22)19-5-7-23(33-2)24(15-19)34-3/h4-7,14-15,17,30-31H,8-13,16H2,1-3H3
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| InChIKey |
VSVZAIJDVKEDBW-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