General Information of the Compound
| Compound ID |
CP0455100
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| Compound Name |
4-fluoro-N-(3-{1-[3,3,3-trifluoro-2-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)propyl]piperidin-4-yl}-1H-indol-5-yl)benzamide
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| Structure |
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| Formula |
C43H41F5N6O2
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| Molecular Weight |
768.831
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CC(N4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)C(F)(F)F)CC3)c2c1
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| InChI |
InChI=1S/C43H41F5N6O2/c44-30-5-1-28(2-6-30)41(55)51-32-9-11-38-34(21-32)36(23-49-38)26-13-17-53(18-14-26)25-40(43(46,47)48)54-19-15-27(16-20-54)37-24-50-39-12-10-33(22-35(37)39)52-42(56)29-3-7-31(45)8-4-29/h1-12,21-24,26-27,40,49-50H,13-20,25H2,(H,51,55)(H,52,56)
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| InChIKey |
GMPLQRYRDNTYBI-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