General Information of the Compound
| Compound ID |
CP0404669
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| Compound Name |
5-[2-[4-[(4-chloro-3-nitrophenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
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| Structure |
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| Formula |
C23H25ClN4O3
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| Molecular Weight |
440.931
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c(c4)[N+]([O-])=O)CC3)cccc2n1
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| InChI |
InChI=1S/C23H25ClN4O3/c1-17-5-7-19-21(25-17)3-2-4-23(19)31-14-13-26-9-11-27(12-10-26)16-18-6-8-20(24)22(15-18)28(29)30/h2-8,15H,9-14,16H2,1H3
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| InChIKey |
UNVYWLOYBPSPIR-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