General Information of the Compound
| Compound ID |
CP0563550
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| Compound Name |
N-[2-[2-(4-chloro-2,5-dimethoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C23H23ClF3N5O4S
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| Molecular Weight |
557.982
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| Canonical SMILES |
COc1cc(Nc2ncc(c(n2)N2Cc3cccc(N(C)S(C)(=O)=O)c3C2)C(F)(F)F)c(OC)cc1Cl
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| InChI |
InChI=1S/C23H23ClF3N5O4S/c1-31(37(4,33)34)18-7-5-6-13-11-32(12-14(13)18)21-15(23(25,26)27)10-28-22(30-21)29-17-9-19(35-2)16(24)8-20(17)36-3/h5-10H,11-12H2,1-4H3,(H,28,29,30)
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| InChIKey |
OZJUQZXGEMVFBZ-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