General Information of the Compound
| Compound ID |
CP0546745
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| Compound Name |
6-[methyl-[[6-(trifluoromethyl)pyridin-3-yl]methyl]amino]-N-phenylpyrimidine-4-carboxamide
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| Structure |
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| Formula |
C19H16F3N5O
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| Molecular Weight |
387.365
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| Canonical SMILES |
CN(Cc1ccc(nc1)C(F)(F)F)c1cc(ncn1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C19H16F3N5O/c1-27(11-13-7-8-16(23-10-13)19(20,21)22)17-9-15(24-12-25-17)18(28)26-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,26,28)
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| InChIKey |
RIQGHCAMGIQILJ-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