General Information of the Compound
| Compound ID |
CP0554977
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| Compound Name |
N-methyl-N-[2-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]methanesulfonamide
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| Structure |
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| Formula |
C25H27F3N6O3S
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| Molecular Weight |
548.591
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| Canonical SMILES |
CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C25H27F3N6O3S/c1-32(38(2,35)36)22-5-3-4-17-15-34(16-20(17)22)23-21(25(26,27)28)14-29-24(31-23)30-18-6-8-19(9-7-18)33-10-12-37-13-11-33/h3-9,14H,10-13,15-16H2,1-2H3,(H,29,30,31)
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| InChIKey |
RSSOEXLIVFMPFI-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