General Information of the Compound
| Compound ID |
CP0520910
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| Compound Name |
2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C22H25ClFN3
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| Molecular Weight |
385.914
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| Canonical SMILES |
CNCCN1CCC(CC1)c1ccc2[nH]c(c(F)c2c1)-c1ccccc1Cl
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| InChI |
InChI=1S/C22H25ClFN3/c1-25-10-13-27-11-8-15(9-12-27)16-6-7-20-18(14-16)21(24)22(26-20)17-4-2-3-5-19(17)23/h2-7,14-15,25-26H,8-13H2,1H3
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| InChIKey |
FEHDCYJWQSIHJA-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