General Information of the Compound
| Compound ID |
CP0230643
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| Compound Name |
1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(1H-indol-3-yl)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(C3CCN(CCCCN4C(=O)CC(C4=O)c4c[nH]c5ccccc45)CC3)c2c1
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| InChI |
InChI=1S/C29H31FN4O2/c30-20-7-8-27-22(15-20)24(17-31-27)19-9-13-33(14-10-19)11-3-4-12-34-28(35)16-23(29(34)36)25-18-32-26-6-2-1-5-21(25)26/h1-2,5-8,15,17-19,23,31-32H,3-4,9-14,16H2
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| InChIKey |
MGSKAXDKJKXHKT-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor