General Information of the Compound
| Compound ID |
CP0439235
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| Compound Name |
4-fluoro-N-(3-(1-octylpiperidin-4-yl)-1H-indol-5-yl)benzamide
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| Structure |
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| Formula |
C28H36FN3O
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| Molecular Weight |
449.614
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| Canonical SMILES |
CCCCCCCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
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| InChI |
InChI=1S/C28H36FN3O/c1-2-3-4-5-6-7-16-32-17-14-21(15-18-32)26-20-30-27-13-12-24(19-25(26)27)31-28(33)22-8-10-23(29)11-9-22/h8-13,19-21,30H,2-7,14-18H2,1H3,(H,31,33)
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| InChIKey |
UJFGKANWPYJECV-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D