General Information of the Compound
| Compound ID |
CP0509690
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| Compound Name |
N-[2-[2-(4-chloro-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C22H21ClF3N5O2S
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| Molecular Weight |
511.957
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| Canonical SMILES |
CN(c1cccc2CN(Cc12)c1nc(Nc2ccc(Cl)cc2C)ncc1C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H21ClF3N5O2S/c1-13-9-15(23)7-8-18(13)28-21-27-10-17(22(24,25)26)20(29-21)31-11-14-5-4-6-19(16(14)12-31)30(2)34(3,32)33/h4-10H,11-12H2,1-3H3,(H,27,28,29)
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| InChIKey |
FTCSCFFFJUZDOB-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