General Information of the Compound
| Compound ID |
CP0374587
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| Compound Name |
3-[4-(1,2-dimethyl-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 |
C23H30N4O2
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| Molecular Weight |
394.519
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| Canonical SMILES |
Cc1nc2C(=Cc3ccccc3Cn2c1C)N1CCN(CC(C)(C)C(O)=O)CC1
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| InChI |
InChI=1S/C23H30N4O2/c1-16-17(2)27-14-19-8-6-5-7-18(19)13-20(21(27)24-16)26-11-9-25(10-12-26)15-23(3,4)22(28)29/h5-8,13H,9-12,14-15H2,1-4H3,(H,28,29)
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| InChIKey |
SOXIOTAVNTWQJT-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