General Information of the Compound
| Compound ID |
CP0435363
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| Compound Name |
1-(4-chlorophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]methanamine
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| Structure |
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| Formula |
C22H19ClN2OS
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| Molecular Weight |
394.927
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| Canonical SMILES |
COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1
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| InChI |
InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3
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| InChIKey |
WAGYXCGXJVEIFG-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