General Information of the Compound
| Compound ID |
CP0564656
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| Compound Name |
2-[4-[3-chloro-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C24H30ClN3O2
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| Molecular Weight |
427.976
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(Cl)c2c1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C24H30ClN3O2/c1-26-10-13-28-11-8-16(9-12-28)17-4-6-20-19(14-17)23(25)24(27-20)18-5-7-21(29-2)22(15-18)30-3/h4-7,14-16,26-27H,8-13H2,1-3H3
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| InChIKey |
OWQIJUNESWBFTP-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