General Information of the Compound
| Compound ID |
CP0477192
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| Compound Name |
N-[2-[2-[3-chloro-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 |
C22H18ClF6N5O2S
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| Molecular Weight |
565.927
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| Canonical SMILES |
CN(c1cccc2CN(Cc12)c1nc(Nc2cc(Cl)cc(c2)C(F)(F)F)ncc1C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H18ClF6N5O2S/c1-33(37(2,35)36)18-5-3-4-12-10-34(11-16(12)18)19-17(22(27,28)29)9-30-20(32-19)31-15-7-13(21(24,25)26)6-14(23)8-15/h3-9H,10-11H2,1-2H3,(H,30,31,32)
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| InChIKey |
ORYXVECZPVQHSH-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