General Information of the Compound
| Compound ID |
CP0460837
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| Compound Name |
6-(4-fluorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C26H23FN4O
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| Molecular Weight |
426.495
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc2cc(CN3CCCC3)cnc2c1
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| InChI |
InChI=1S/C26H23FN4O/c27-22-7-3-19(4-8-22)24-10-6-21(16-29-24)26(32)30-23-9-5-20-13-18(15-28-25(20)14-23)17-31-11-1-2-12-31/h3-10,13-16H,1-2,11-12,17H2,(H,30,32)
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| InChIKey |
WQBXCEPRRLBKSC-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01027, Melanin-concentrating hormone receptor 1