General Information of the Compound
| Compound ID |
CP0548536
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| Compound Name |
8-(1-ethyl-5-pyridazin-3-ylpyrazol-3-yl)isoquinoline
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| Structure |
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| Formula |
C18H15N5
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| Molecular Weight |
301.353
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| Canonical SMILES |
CCn1nc(cc1-c1cccnn1)-c1cccc2ccncc12
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| InChI |
InChI=1S/C18H15N5/c1-2-23-18(16-7-4-9-20-21-16)11-17(22-23)14-6-3-5-13-8-10-19-12-15(13)14/h3-12H,2H2,1H3
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| InChIKey |
PMDAKRWDIJCUMB-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