General Information of the Compound
| Compound ID |
CP0394689
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| Compound Name |
10-[3-(2-Fluoro-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 |
C19H20FN5O
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| Molecular Weight |
353.401
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| Canonical SMILES |
Fc1ccccc1OC1CN(C1)c1c2CCNCCc2nc2ccnn12
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| InChI |
InChI=1S/C19H20FN5O/c20-15-3-1-2-4-17(15)26-13-11-24(12-13)19-14-5-8-21-9-6-16(14)23-18-7-10-22-25(18)19/h1-4,7,10,13,21H,5-6,8-9,11-12H2
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| InChIKey |
PVOIHXADHTXDSU-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