General Information of the Compound
| Compound ID |
CP0456623
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| Compound Name |
6-[methyl-[[6-(trifluoromethyl)pyridin-3-yl]methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C15H12F3N7OS
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| Molecular Weight |
395.37
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| Canonical SMILES |
CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1nncs1
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| InChI |
InChI=1S/C15H12F3N7OS/c1-25(6-9-2-3-11(19-5-9)15(16,17)18)12-4-10(20-7-21-12)13(26)23-14-24-22-8-27-14/h2-5,7-8H,6H2,1H3,(H,23,24,26)
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| InChIKey |
HUHMVOCYAWWFKL-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