General Information of the Compound
| Compound ID |
CP0452412
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| Compound Name |
N-[4-(6-aminopyrimidin-4-yl)-1,3-thiazol-2-yl]-4-fluoro-N-methylbenzamide
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| Structure |
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| Formula |
C15H12FN5OS
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| Molecular Weight |
329.36
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| Canonical SMILES |
CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cc(N)ncn1
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| InChI |
InChI=1S/C15H12FN5OS/c1-21(14(22)9-2-4-10(16)5-3-9)15-20-12(7-23-15)11-6-13(17)19-8-18-11/h2-8H,1H3,(H2,17,18,19)
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| InChIKey |
YWZHEOSSJGFKBA-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: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5