General Information of the Compound
| Compound ID |
CP0492027
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| Compound Name |
1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-imidazol-2-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
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| Structure |
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| Formula |
C28H31FN6O
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| Molecular Weight |
486.595
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| Canonical SMILES |
Cn1ccnc1-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H31FN6O/c1-32-14-10-30-27(32)21-2-7-26-24(18-21)25(19-35(26)23-5-3-22(29)4-6-23)20-8-12-33(13-9-20)16-17-34-15-11-31-28(34)36/h2-7,10,14,18-20H,8-9,11-13,15-17H2,1H3,(H,31,36)
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| InChIKey |
FFQNIRWMHOFXPG-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: PT01480, 5-hydroxytryptamine receptor 2C