General Information of the Compound
| Compound ID |
CP0374588
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| Compound Name |
3-[4-(1-chloro-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 |
C21H25ClN4O2
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| Molecular Weight |
400.91
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| Canonical SMILES |
CC(C)(CN1CCN(CC1)C1=Cc2ccccc2Cn2c(Cl)cnc12)C(O)=O
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| InChI |
InChI=1S/C21H25ClN4O2/c1-21(2,20(27)28)14-24-7-9-25(10-8-24)17-11-15-5-3-4-6-16(15)13-26-18(22)12-23-19(17)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28)
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| InChIKey |
TVBIHDSWRDFHAA-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