General Information of the Compound
| Compound ID |
CP0398530
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| Compound Name |
6-(piperazin-1-yl)-2-(2-(2-(trifluoromethyl)phenoxy)ethyl)pyridazin-3(2H)-one
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| Structure |
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| Formula |
C17H19F3N4O2
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| Molecular Weight |
368.359
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| Canonical SMILES |
FC(F)(F)c1ccccc1OCCn1nc(ccc1=O)N1CCNCC1
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| InChI |
InChI=1S/C17H19F3N4O2/c18-17(19,20)13-3-1-2-4-14(13)26-12-11-24-16(25)6-5-15(22-24)23-9-7-21-8-10-23/h1-6,21H,7-12H2
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| InChIKey |
HKGGAOLOQBKMKY-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