General Information of the Compound
| Compound ID |
CP0477246
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| Compound Name |
2-(difluoromethyl)-N-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-5-[(propanoylamino)methyl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H20F5N5O2
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| Molecular Weight |
481.425
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| Canonical SMILES |
CCC(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H20F5N5O2/c1-3-16(33)28-9-12-8-15(18(19(23)24)29-10-12)20(34)32-21-30-11(2)17(31-21)13-4-6-14(7-5-13)22(25,26)27/h4-8,10,19H,3,9H2,1-2H3,(H,28,33)(H2,30,31,32,34)
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| InChIKey |
TZFQDPLANIAZLL-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