General Information of the Compound
| Compound ID |
CP0382930
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| Compound Name |
1-(2-{4-[5-(1-Ethyl-1H-[1,2,3]triazol-4-yl)-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
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| Structure |
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| Formula |
C28H32FN7O
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| Molecular Weight |
501.61
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| Canonical SMILES |
CCn1cc(nn1)-c1ccc2n(cc(C3CCN(CCN4CCNC4=O)CC3)c2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H32FN7O/c1-2-35-19-26(31-32-35)21-3-8-27-24(17-21)25(18-36(27)23-6-4-22(29)5-7-23)20-9-12-33(13-10-20)15-16-34-14-11-30-28(34)37/h3-8,17-20H,2,9-16H2,1H3,(H,30,37)
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| InChIKey |
CJGRIFQTJRPEFT-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