General Information of the Compound
| Compound ID |
CP0443914
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| Compound Name |
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(5-methoxy-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C22H21ClN2O2
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| Molecular Weight |
380.875
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| Canonical SMILES |
COc1ccc2[nH]cc(CCNCc3ccc(o3)-c3ccc(Cl)cc3)c2c1
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| InChI |
InChI=1S/C22H21ClN2O2/c1-26-18-6-8-21-20(12-18)16(13-25-21)10-11-24-14-19-7-9-22(27-19)15-2-4-17(23)5-3-15/h2-9,12-13,24-25H,10-11,14H2,1H3
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| InChIKey |
VGKVYVYBJMIGOD-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