General Information of the Compound
| Compound ID |
CP0540177
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| Compound Name |
2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
COc1ccc(cc1OC)-c1[nH]c2ccc(cc2c1C)C1CCNCC1
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| InChI |
InChI=1S/C22H26N2O2/c1-14-18-12-16(15-8-10-23-11-9-15)4-6-19(18)24-22(14)17-5-7-20(25-2)21(13-17)26-3/h4-7,12-13,15,23-24H,8-11H2,1-3H3
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| InChIKey |
BYXCSQIDOXYWDS-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