General Information of the Compound
| Compound ID |
CP0416278
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C29H31FN4O2
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| Molecular Weight |
486.591
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| Canonical SMILES |
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
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| InChI |
InChI=1S/C29H31FN4O2/c30-20-7-8-27-22(15-20)25(18-32-27)23-16-28(35)34(29(23)36)12-4-3-11-33-13-9-19(10-14-33)24-17-31-26-6-2-1-5-21(24)26/h1-2,5-8,15,17-19,23,31-32H,3-4,9-14,16H2
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| InChIKey |
GNSLKVMRVNNRSW-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter