General Information of the Compound
| Compound ID |
CP0476423
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-1-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C28H28F2N4O2
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| Molecular Weight |
490.554
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| Canonical SMILES |
Fc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
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| InChI |
InChI=1S/C28H28F2N4O2/c29-18-2-4-25-20(12-18)23(15-31-25)17-6-10-33(11-7-17)8-1-9-34-27(35)14-22(28(34)36)24-16-32-26-5-3-19(30)13-21(24)26/h2-5,12-13,15-17,22,31-32H,1,6-11,14H2
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| InChIKey |
ZLXDHMZRGGRDJS-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