General Information of the Compound
| Compound ID |
CP0477193
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| Compound Name |
N-[2-[2-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C22H20F3N5O4S
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| Molecular Weight |
507.494
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| Canonical SMILES |
CN(c1cccc2CN(Cc12)c1nc(Nc2ccc3OCOc3c2)ncc1C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H20F3N5O4S/c1-29(35(2,31)32)17-5-3-4-13-10-30(11-15(13)17)20-16(22(23,24)25)9-26-21(28-20)27-14-6-7-18-19(8-14)34-12-33-18/h3-9H,10-12H2,1-2H3,(H,26,27,28)
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| InChIKey |
MHWCGJDMYQQZJT-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