General Information of the Compound
| Compound ID |
CP0470473
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| Compound Name |
2-(4-bromophenyl)-N-((2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
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| Structure |
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| Formula |
C22H19BrN2S
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| Molecular Weight |
423.379
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| Canonical SMILES |
Brc1ccc(CCNCc2cc3ccccc3nc2-c2ccsc2)cc1
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| InChI |
InChI=1S/C22H19BrN2S/c23-20-7-5-16(6-8-20)9-11-24-14-19-13-17-3-1-2-4-21(17)25-22(19)18-10-12-26-15-18/h1-8,10,12-13,15,24H,9,11,14H2
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| InChIKey |
MZAWFPXCLQLZDG-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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1