General Information of the Compound
| Compound ID |
CP0407685
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| Compound Name |
10-[3-(Pyridin-3-yloxy)-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 |
C18H20N6O
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| Molecular Weight |
336.399
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| Canonical SMILES |
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1cccnc1
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| InChI |
InChI=1S/C18H20N6O/c1-2-13(10-20-6-1)25-14-11-23(12-14)18-15-3-7-19-8-4-16(15)22-17-5-9-21-24(17)18/h1-2,5-6,9-10,14,19H,3-4,7-8,11-12H2
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| InChIKey |
GAFJBHLQANNUBA-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