General Information of the Compound
| Compound ID |
CP0477603
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| Compound Name |
3-[4-(1-methoxy-10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C22H28N4O3
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| Molecular Weight |
396.491
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| Canonical SMILES |
COc1cnc2C(=Cc3ccccc3Cn12)N1CCN(CC(C)(C)C(O)=O)CC1
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| InChI |
InChI=1S/C22H28N4O3/c1-22(2,21(27)28)15-24-8-10-25(11-9-24)18-12-16-6-4-5-7-17(16)14-26-19(29-3)13-23-20(18)26/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,27,28)
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| InChIKey |
XNVKJWRHFRDBHD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor