General Information of the Compound
| Compound ID |
CP0388424
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| Compound Name |
2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C27H37N3O2
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| Molecular Weight |
435.612
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3
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| InChIKey |
UKYUETHIPBXYBQ-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: PT06080, Toll-like receptor 3
Protein ID: PT03343, Toll-like receptor 4
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8
Protein ID: PT01922, Toll-like receptor 9