General Information of the Compound
| Compound ID |
CP0479712
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| Compound Name |
2-(3,4-dimethoxyphenyl)-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indole-3-carbonitrile
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| Structure |
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| Formula |
C25H30N4O2
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| Molecular Weight |
418.541
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C#N)c2c1)-c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C25H30N4O2/c1-27-10-13-29-11-8-17(9-12-29)18-4-6-22-20(14-18)21(16-26)25(28-22)19-5-7-23(30-2)24(15-19)31-3/h4-7,14-15,17,27-28H,8-13H2,1-3H3
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| InChIKey |
YAUBOKDLGDRPKH-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