General Information of the Compound
| Compound ID |
CP0446421
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| Compound Name |
4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-2-nitrophenol
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| Structure |
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| Formula |
C23H26N4O4
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| Molecular Weight |
422.485
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCN(Cc4ccc(O)c(c4)[N+]([O-])=O)CC3)cccc2n1
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| InChI |
InChI=1S/C23H26N4O4/c1-17-5-7-19-20(24-17)3-2-4-23(19)31-14-13-25-9-11-26(12-10-25)16-18-6-8-22(28)21(15-18)27(29)30/h2-8,15,28H,9-14,16H2,1H3
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| InChIKey |
GCIDJPAHOAQOPY-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