General Information of the Compound
| Compound ID |
CP0388571
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| Compound Name |
1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-methylbenzyl)methanamine
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| Structure |
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| Formula |
C23H22N2OS
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| Molecular Weight |
374.509
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| Canonical SMILES |
COc1ccc2cc(CNCc3ccc(C)cc3)c(nc2c1)-c1ccsc1
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| InChI |
InChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3
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| InChIKey |
WCYMWGVDNSBWIF-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