General Information of the Compound
| Compound ID |
CP0465874
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C27H27FN4O2
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| Molecular Weight |
458.537
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| Canonical SMILES |
Fc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(CC4)c4c[nH]c5ccccc45)C3=O)c2c1
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| InChI |
InChI=1S/C27H27FN4O2/c28-18-5-6-25-20(13-18)23(16-30-25)21-14-26(33)32(27(21)34)12-11-31-9-7-17(8-10-31)22-15-29-24-4-2-1-3-19(22)24/h1-6,13,15-17,21,29-30H,7-12,14H2
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| InChIKey |
MBEFGVUBZHPTOB-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: PT00871, Sodium-dependent serotonin transporter