General Information of the Compound
| Compound ID |
CP0539157
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| Compound Name |
3-[3-methyl-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]benzonitrile
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| Structure |
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| Formula |
C24H28N4
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| Molecular Weight |
372.516
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C)c2c1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C24H28N4/c1-17-22-15-20(19-8-11-28(12-9-19)13-10-26-2)6-7-23(22)27-24(17)21-5-3-4-18(14-21)16-25/h3-7,14-15,19,26-27H,8-13H2,1-2H3
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| InChIKey |
KNUHKKIGMSRRAB-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