General Information of the Compound
| Compound ID |
CP0394691
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| Compound Name |
10-[3-(3-Methoxy-phenoxy)-azetidin-1-yl]-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
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| Structure |
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
COc1cccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)c1
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| InChI |
InChI=1S/C20H23N5O2/c1-26-14-3-2-4-15(11-14)27-16-12-24(13-16)20-17-5-8-21-9-6-18(17)23-19-7-10-22-25(19)20/h2-4,7,10-11,16,21H,5-6,8-9,12-13H2,1H3
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| InChIKey |
KAXMPFDXCLPAGI-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