General Information of the Compound
| Compound ID |
CP0394864
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| Compound Name |
N-methyl-N-[4-[1-(2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)azetidin-3-yl]oxyphenyl]acetamide
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| Structure |
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
CN(C(C)=O)c1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
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| InChI |
InChI=1S/C22H26N6O2/c1-15(29)26(2)16-3-5-17(6-4-16)30-18-13-27(14-18)22-19-7-10-23-11-8-20(19)25-21-9-12-24-28(21)22/h3-6,9,12,18,23H,7-8,10-11,13-14H2,1-2H3
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| InChIKey |
CJKLNGBOTSHTRK-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