General Information of the Compound
| Compound ID |
CP0543454
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| Compound Name |
2-(2-fluoro-6-methylpyridin-4-yl)-3-isopropyl-5-(piperidin-4-yl)-1H-indole
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| Structure |
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| Formula |
C22H26FN3
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| Molecular Weight |
351.469
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| Canonical SMILES |
CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(F)c1
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| InChI |
InChI=1S/C22H26FN3/c1-13(2)21-18-11-16(15-6-8-24-9-7-15)4-5-19(18)26-22(21)17-10-14(3)25-20(23)12-17/h4-5,10-13,15,24,26H,6-9H2,1-3H3
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| InChIKey |
QULSQEFCIVQHAV-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