General Information of the Compound
| Compound ID |
CP0457522
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| Compound Name |
4-[5-[[2-(1H-indol-3-yl)ethylamino]methyl]furan-2-yl]phenol
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| Structure |
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| Formula |
C21H20N2O2
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| Molecular Weight |
332.403
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| Canonical SMILES |
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccccc23)o1
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| InChI |
InChI=1S/C21H20N2O2/c24-17-7-5-15(6-8-17)21-10-9-18(25-21)14-22-12-11-16-13-23-20-4-2-1-3-19(16)20/h1-10,13,22-24H,11-12,14H2
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| InChIKey |
JNJMDCMRJOXGIQ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor