General Information of the Compound
| Compound ID |
CP0435738
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| Compound Name |
4-fluoro-N-{3-[1-(2-{2-[2-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)ethoxy]ethoxy}ethyl)piperidin-4-yl]-1H-indol-5-yl}benzamide
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| Structure |
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| Formula |
C46H50F2N6O4
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| Molecular Weight |
788.94
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCOCCOCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
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| InChI |
InChI=1S/C46H50F2N6O4/c47-35-5-1-33(2-6-35)45(55)51-37-9-11-43-39(27-37)41(29-49-43)31-13-17-53(18-14-31)21-23-57-25-26-58-24-22-54-19-15-32(16-20-54)42-30-50-44-12-10-38(28-40(42)44)52-46(56)34-3-7-36(48)8-4-34/h1-12,27-32,49-50H,13-26H2,(H,51,55)(H,52,56)
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| InChIKey |
OQTOMPQRGYCCES-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