General Information of the Compound
| Compound ID |
CP0040401
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| Compound Name |
N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NS(C)(=O)=O)c2)CC1
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| InChI |
InChI=1S/C23H28N4O2S/c1-18-9-10-21-22(24-18)7-4-8-23(21)27-15-13-26(14-16-27)12-11-19-5-3-6-20(17-19)25-30(2,28)29/h3-10,17,25H,11-16H2,1-2H3
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| InChIKey |
XKHJTHWUWGJDOX-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