General Information of the Compound
| Compound ID |
CP0374584
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| Compound Name |
2-[[4-(10H-imidazo[1,2-b][2]benzazepin-4-yl)piperazin-1-yl]methyl]prop-2-enoic acid
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
OC(=O)C(=C)CN1CCN(CC1)C1=Cc2ccccc2Cn2ccnc12
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| InChI |
InChI=1S/C20H22N4O2/c1-15(20(25)26)13-22-8-10-23(11-9-22)18-12-16-4-2-3-5-17(16)14-24-7-6-21-19(18)24/h2-7,12H,1,8-11,13-14H2,(H,25,26)
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| InChIKey |
FSQHSKMGRAIYLO-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