General Information of the Compound
| Compound ID |
CP0795225
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| Compound Name |
1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylaminocarbonyl)oxime
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| Structure |
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| Formula |
C19H16N2O2S
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| Molecular Weight |
336.416
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| Canonical SMILES |
C/C(=N\OC(=O)Nc1ccccc1)c1cccc(-c2cccs2)c1
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| InChI |
InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)/b21-14+
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| InChIKey |
CQUWKHKELQQYRI-KGENOOAVSA-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT02392, B2 bradykinin receptor
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2
Protein ID: PT00958, Cholecystokinin receptor type A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01372, Endothelin-1 receptor
Protein ID: PT01960, Galanin receptor type 2
Protein ID: PT01206, Histamine H1 receptor
Protein ID: PT01357, Histamine H2 receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01199, Neuromedin-K receptor
Protein ID: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT02429, Neurotensin receptor type 1
Protein ID: PT01360, Nociceptin receptor
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01819, Thromboxane A2 receptor
Protein ID: PT01197, Type-1 angiotensin II receptor
Protein ID: PT01839, Vasopressin V1a receptor