General Information of the Compound
| Compound ID |
CP0457268
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| Compound Name |
N-[6-(pyridin-2-ylmethoxy)pyridin-3-yl]-5-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C21H17F3N4O2
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| Molecular Weight |
414.387
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| Canonical SMILES |
FC(F)(F)c1ccc2N(CCc2c1)C(=O)Nc1ccc(OCc2ccccn2)nc1
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| InChI |
InChI=1S/C21H17F3N4O2/c22-21(23,24)15-4-6-18-14(11-15)8-10-28(18)20(29)27-16-5-7-19(26-12-16)30-13-17-3-1-2-9-25-17/h1-7,9,11-12H,8,10,13H2,(H,27,29)
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| InChIKey |
DMTYWFWKUOCEKE-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C