General Information of the Compound
| Compound ID |
CP0135185
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| Compound Name |
4-[5-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]methyl]furan-2-yl]phenol
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| Structure |
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| Formula |
C20H18FN3O2
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| Molecular Weight |
351.381
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| Canonical SMILES |
Oc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ncc(F)cc23)o1
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| InChI |
InChI=1S/C20H18FN3O2/c21-15-9-18-14(10-23-20(18)24-11-15)7-8-22-12-17-5-6-19(26-17)13-1-3-16(25)4-2-13/h1-6,9-11,22,25H,7-8,12H2,(H,23,24)
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| InChIKey |
VTRMFVAGEAFJTR-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 5140 nM
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TI
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LO
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