General Information of the Compound
| Compound ID |
CP0343547
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| Compound Name |
5-chloro-3-methyl-N-[4-[(3S)-3-methylpiperazin-1-yl]quinolin-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 |
C[C@H]1CN(CCN1)c1ccnc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12
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| InChI |
InChI=1S/C23H23ClN4O2S2/c1-14-13-28(10-9-25-14)21-7-8-26-20-5-4-17(12-19(20)21)27-32(29,30)23-15(2)18-11-16(24)3-6-22(18)31-23/h3-8,11-12,14,25,27H,9-10,13H2,1-2H3/t14-/m0/s1
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| InChIKey |
XYJTURUCNQJUDF-AWEZNQCLSA-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