General Information of the Compound
| Compound ID |
CP0855716
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| Compound Name |
3-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)c5cccc(F)c5)c4)CC3)cccc2n1
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| InChI |
InChI=1S/C29H29FN4O/c1-21-11-12-26-27(31-21)9-4-10-28(26)34-17-15-33(16-18-34)14-13-22-5-2-8-25(19-22)32-29(35)23-6-3-7-24(30)20-23/h2-12,19-20H,13-18H2,1H3,(H,32,35)
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| InChIKey |
ISRPLSQREDOZNT-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