General Information of the Compound
| Compound ID |
CP0374365
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| Compound Name |
1-(Pyridin-3-yl)-2-fluoro-4-(2-methylthiazol-4ylethynyl)benzene
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| Structure |
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| Formula |
C17H11FN2S
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| Molecular Weight |
294.354
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| Canonical SMILES |
Cc1nc(cs1)C#Cc1ccc(c(F)c1)-c1cccnc1
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| InChI |
InChI=1S/C17H11FN2S/c1-12-20-15(11-21-12)6-4-13-5-7-16(17(18)9-13)14-3-2-8-19-10-14/h2-3,5,7-11H,1H3
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| InChIKey |
WSZDFPKNUKEBNH-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter