General Information of the Compound
| Compound ID |
CP0532075
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| Compound Name |
2-(3,4-dimethoxyphenyl)-3-methyl-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-indole
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| Structure |
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| Formula |
C28H31N3O2
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| Molecular Weight |
441.575
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| Canonical SMILES |
COc1ccc(cc1OC)-c1[nH]c2ccc(cc2c1C)C1CCN(Cc2ccncc2)CC1
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| InChI |
InChI=1S/C28H31N3O2/c1-19-24-16-22(21-10-14-31(15-11-21)18-20-8-12-29-13-9-20)4-6-25(24)30-28(19)23-5-7-26(32-2)27(17-23)33-3/h4-9,12-13,16-17,21,30H,10-11,14-15,18H2,1-3H3
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| InChIKey |
VKPLAKFHDKXBKH-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