General Information of the Compound
| Compound ID |
CP0066236
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| Compound Name |
1-(dimethylamino)-3-[(2-methyl-1H-1,2-benzazaborinin-8-yl)oxy]propan-2-ol
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| Structure |
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| Formula |
C14H21BN2O2
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| Molecular Weight |
260.146
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| Canonical SMILES |
CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1
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| InChI |
InChI=1S/C14H21BN2O2/c1-15-8-7-11-5-4-6-13(14(11)16-15)19-10-12(18)9-17(2)3/h4-8,12,16,18H,9-10H2,1-3H3
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| InChIKey |
CCSPGLLRANVKRG-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: 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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT00958, Cholecystokinin receptor type A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT01372, Endothelin-1 receptor
Protein ID: PT00983, Kappa-type opioid receptor
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: PT01197, Type-1 angiotensin II receptor
Protein ID: PT01839, Vasopressin V1a receptor