General Information of the Compound
| Compound ID |
CP0495389
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| Compound Name |
5-[2-[4-[(4-methoxy-3-nitrophenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
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| Structure |
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| Formula |
C24H28N4O4
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| Molecular Weight |
436.512
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| Canonical SMILES |
COc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1[N+]([O-])=O
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| InChI |
InChI=1S/C24H28N4O4/c1-18-6-8-20-21(25-18)4-3-5-23(20)32-15-14-26-10-12-27(13-11-26)17-19-7-9-24(31-2)22(16-19)28(29)30/h3-9,16H,10-15,17H2,1-2H3
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| InChIKey |
KZRNXNCVTREXNC-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