General Information of the Compound
| Compound ID |
CP0507509
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| Compound Name |
2-(4-bromophenyl)-N-((6,7-dimethoxy-2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
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| Structure |
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| Formula |
C24H23BrN2O2S
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| Molecular Weight |
483.431
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| Canonical SMILES |
COc1cc2cc(CNCCc3ccc(Br)cc3)c(nc2cc1OC)-c1ccsc1
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| InChI |
InChI=1S/C24H23BrN2O2S/c1-28-22-12-18-11-19(14-26-9-7-16-3-5-20(25)6-4-16)24(17-8-10-30-15-17)27-21(18)13-23(22)29-2/h3-6,8,10-13,15,26H,7,9,14H2,1-2H3
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| InChIKey |
ASQJSLCJOKTDDN-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: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1