General Information of the Compound
| Compound ID |
CP0845521
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| Compound Name |
2-Fluoro-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-phenyl)Benzamide
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| Structure |
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| Formula |
C29H29FN4O
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| Molecular Weight |
468.576
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| Canonical SMILES |
Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5ccccc5F)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C29H29FN4O/c1-21-12-13-25-27(31-21)10-5-11-28(25)34-18-16-33(17-19-34)15-14-22-6-4-7-23(20-22)32-29(35)24-8-2-3-9-26(24)30/h2-13,20H,14-19H2,1H3,(H,32,35)
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| InChIKey |
KGIPJSRRBSRWME-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D