General Information of the Compound
| Compound ID |
CP0534991
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| Compound Name |
(2,4-Dibromo-phenyl)-ethyl-[4-methyl-6-(2-trifluoromethyl-phenyl)-pyrimidin-2-yl]-amine
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| Structure |
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| Formula |
C20H16Br2F3N3
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| Molecular Weight |
515.171
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1C(F)(F)F)c1ccc(Br)cc1Br
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| InChI |
InChI=1S/C20H16Br2F3N3/c1-3-28(18-9-8-13(21)11-16(18)22)19-26-12(2)10-17(27-19)14-6-4-5-7-15(14)20(23,24)25/h4-11H,3H2,1-2H3
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| InChIKey |
YOJGNPZDDWDWMA-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