General Information of the Compound
| Compound ID |
CP0470834
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| Compound Name |
10-(3-Phenoxy-azetidin-1-yl)-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraazacyclohepta[f]indene
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| Structure |
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
C1C(CN1c1c2CCNCCc2nc2ccnn12)Oc1ccccc1
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| InChI |
InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)25-15-12-23(13-15)19-16-6-9-20-10-7-17(16)22-18-8-11-21-24(18)19/h1-5,8,11,15,20H,6-7,9-10,12-13H2
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| InChIKey |
KEOBEGKGLRTEQM-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