General Information of the Compound
Compound ID |
CP0307921
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Compound Name |
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-1-benzothiophene-2-sulfonamide
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Structure |
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Formula |
C24H26FN3O3S2
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Molecular Weight |
487.622
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Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1
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InChI |
InChI=1S/C24H26FN3O3S2/c25-19-7-8-20-21(16-19)31-27-24(20)17-9-13-28(14-10-17)12-4-3-11-26-33(29,30)23-15-18-5-1-2-6-22(18)32-23/h1-2,5-8,15-17,26H,3-4,9-14H2
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InChIKey |
GXZWKZAOGQRNTL-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter