General Information of the Compound
| Compound ID |
CP0440229
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| Compound Name |
3-(5-methoxy-1H-indol-3-yl)-1-[3-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]propyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C30H34N4O4
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| Molecular Weight |
514.626
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| Canonical SMILES |
COc1ccc2[nH]cc(C3CC(=O)N(CCCN4CCC(CC4)c4c[nH]c5ccc(OC)cc45)C3=O)c2c1
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| InChI |
InChI=1S/C30H34N4O4/c1-37-20-4-6-27-22(14-20)25(17-31-27)19-8-12-33(13-9-19)10-3-11-34-29(35)16-24(30(34)36)26-18-32-28-7-5-21(38-2)15-23(26)28/h4-7,14-15,17-19,24,31-32H,3,8-13,16H2,1-2H3
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| InChIKey |
DUKSKPMBVYFYDT-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