General Information of the Compound
| Compound ID |
CP0568588
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| Compound Name |
2-(2-ethyl-6-methylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
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| Structure |
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| Formula |
C24H31N3
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| Molecular Weight |
361.533
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| Canonical SMILES |
CCc1cc(cc(C)n1)-c1[nH]c2ccc(cc2c1C(C)C)C1CCNCC1
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| InChI |
InChI=1S/C24H31N3/c1-5-20-13-19(12-16(4)26-20)24-23(15(2)3)21-14-18(6-7-22(21)27-24)17-8-10-25-11-9-17/h6-7,12-15,17,25,27H,5,8-11H2,1-4H3
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| InChIKey |
MSTNVPCHDVLSIT-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: PT02546, Toll-like receptor 8