General Information of the Compound
| Compound ID |
CP0496867
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| Compound Name |
2-methyl-5-[2-[4-[(4-methyl-3-nitrophenyl)methyl]piperazin-1-yl]ethoxy]quinoline
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| Structure |
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| Formula |
C24H28N4O3
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| Molecular Weight |
420.513
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
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| InChI |
InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
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| InChIKey |
STHBOQUYXBHUNT-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D