General Information of the Compound
| Compound ID |
CP0439382
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| Compound Name |
10-[3-(2-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 |
COc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
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| InChI |
InChI=1S/C20H23N5O2/c1-26-17-4-2-3-5-18(17)27-14-12-24(13-14)20-15-6-9-21-10-7-16(15)23-19-8-11-22-25(19)20/h2-5,8,11,14,21H,6-7,9-10,12-13H2,1H3
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| InChIKey |
ZXMLRTRVPLFERQ-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