General Information of the Compound
| Compound ID |
CP0428082
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| Compound Name |
(E)-5-fluoro-2-(2-(5-(2-fluorophenylsulfonyl)pyridin-2-yl)vinyl)phenol
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| Structure |
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| Formula |
C19H13F2NO3S
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| Molecular Weight |
373.38
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| Canonical SMILES |
Oc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
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| InChI |
InChI=1S/C19H13F2NO3S/c20-14-7-5-13(18(23)11-14)6-8-15-9-10-16(12-22-15)26(24,25)19-4-2-1-3-17(19)21/h1-12,23H/b8-6+
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| InChIKey |
QMVRSBUQOIXYIF-SOFGYWHQSA-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2