General Information of the Compound
| Compound ID |
CP0087577
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| Compound Name |
2-N-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C14H14F4N4O3S
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| Molecular Weight |
394.35
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| Canonical SMILES |
CNc1nc(Nc2cc(F)c(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
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| InChI |
InChI=1S/C14H14F4N4O3S/c1-19-12-7(14(16,17)18)6-20-13(22-12)21-9-4-8(15)11(26(3,23)24)5-10(9)25-2/h4-6H,1-3H3,(H2,19,20,21,22)
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| InChIKey |
RJNFWPNXSNQTBW-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