General Information of the Compound
| Compound ID |
CP0549023
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| Compound Name |
N-[2-[2-[2-methoxy-5-(trifluoromethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydroisoindol-4-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C23H21F6N5O3S
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| Molecular Weight |
561.508
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| Canonical SMILES |
COc1ccc(cc1Nc1ncc(c(n1)N1Cc2cccc(N(C)S(C)(=O)=O)c2C1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H21F6N5O3S/c1-33(38(3,35)36)18-6-4-5-13-11-34(12-15(13)18)20-16(23(27,28)29)10-30-21(32-20)31-17-9-14(22(24,25)26)7-8-19(17)37-2/h4-10H,11-12H2,1-3H3,(H,30,31,32)
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| InChIKey |
QTEZQMACSVBJMM-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