General Information of the Compound
| Compound ID |
CP0564267
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| Compound Name |
4-[3-methyl-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]benzamide
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| Structure |
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| Formula |
C24H30N4O
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| Molecular Weight |
390.531
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1ccc(cc1)C(N)=O
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| InChI |
InChI=1S/C24H30N4O/c1-16-21-15-20(17-9-12-28(13-10-17)14-11-26-2)7-8-22(21)27-23(16)18-3-5-19(6-4-18)24(25)29/h3-8,15,17,26-27H,9-14H2,1-2H3,(H2,25,29)
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| InChIKey |
IJARTFQPEMMLIZ-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