General Information of the Compound
| Compound ID |
CP0521777
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| Compound Name |
6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-phenylpyrimidine-4-carboxamide
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| Structure |
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| Formula |
C20H17F3N4O
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| Molecular Weight |
386.377
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| Canonical SMILES |
CN(Cc1ccc(cc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C20H17F3N4O/c1-27(12-14-7-9-15(10-8-14)20(21,22)23)18-11-17(24-13-25-18)19(28)26-16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,26,28)
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| InChIKey |
KKXLQDGJOLYPFW-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