General Information of the Compound
| Compound ID |
CP0417586
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| Compound Name |
N-methyl-N-[2-[2-(3-phenoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C27H24F3N5O3S
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| Molecular Weight |
555.582
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| Canonical SMILES |
CN(c1cccc2CN(Cc12)c1nc(Nc2cccc(Oc3ccccc3)c2)ncc1C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C27H24F3N5O3S/c1-34(39(2,36)37)24-13-6-8-18-16-35(17-22(18)24)25-23(27(28,29)30)15-31-26(33-25)32-19-9-7-12-21(14-19)38-20-10-4-3-5-11-20/h3-15H,16-17H2,1-2H3,(H,31,32,33)
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| InChIKey |
JEQXVGINHZFKLV-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