General Information of the Compound
| Compound ID |
CP0394125
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| Compound Name |
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C29H30F2N4O2
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| Molecular Weight |
504.581
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| Canonical SMILES |
Fc1ccc2[nH]cc(C3CC(=O)N(CCCCN4CCC(CC4)c4c[nH]c5ccc(F)cc45)C3=O)c2c1
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| InChI |
InChI=1S/C29H30F2N4O2/c30-19-3-5-26-21(13-19)24(16-32-26)18-7-11-34(12-8-18)9-1-2-10-35-28(36)15-23(29(35)37)25-17-33-27-6-4-20(31)14-22(25)27/h3-6,13-14,16-18,23,32-33H,1-2,7-12,15H2
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| InChIKey |
XKIVNUFBPASSIA-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