General Information of the Compound
| Compound ID |
CP0082421
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| Compound Name |
5-chloro-3-methyl-N-(2-methyl-4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide
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| Structure |
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| Formula |
C23H23ClN4O2S2
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| Molecular Weight |
487.05
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| Canonical SMILES |
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nc(C)cc(N3CCNCC3)c2c1
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| InChI |
InChI=1S/C23H23ClN4O2S2/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3
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| InChIKey |
MNYODQSAKDAGDY-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor