General Information of the Compound
| Compound ID |
CP0453618
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]quinoline-6-sulfonamide
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| Structure |
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| Formula |
C22H24Cl2N4O2S
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| Molecular Weight |
479.433
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCNS(=O)(=O)c3ccc4ncccc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C22H24Cl2N4O2S/c23-19-5-1-6-21(22(19)24)28-14-12-27(13-15-28)11-3-10-26-31(29,30)18-7-8-20-17(16-18)4-2-9-25-20/h1-2,4-9,16,26H,3,10-15H2
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| InChIKey |
UNXSKPWKGQDDCI-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7