General Information of the Compound
| Compound ID |
CP0930996
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| Compound Name |
2-(3,4-Dimethoxyphenyl)-3-methyl-5-(1-((1-methylpiperidin-2-yl)methyl)piperidin-4-yl)-1H-indole
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| Structure |
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| Formula |
C29H39N3O2
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| Molecular Weight |
461.65
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| Canonical SMILES |
COc1ccc(-c2[nH]c3ccc(C4CCN(CC5CCCCN5C)CC4)cc3c2C)cc1OC
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| InChI |
InChI=1S/C29H39N3O2/c1-20-25-17-22(21-12-15-32(16-13-21)19-24-7-5-6-14-31(24)2)8-10-26(25)30-29(20)23-9-11-27(33-3)28(18-23)34-4/h8-11,17-18,21,24,30H,5-7,12-16,19H2,1-4H3
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| InChIKey |
WWGKZAKCINYBAU-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