General Information of the Compound
| Compound ID |
CP0497931
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| Compound Name |
(2-Bromo-4-isopropyl-6-methyl-phenyl)-ethyl-[4-methyl-6-(2,4,6-trimethyl-pyridin-3-yl)-pyrimidin-2-yl]-amine
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| Structure |
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| Formula |
C25H31BrN4
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| Molecular Weight |
467.455
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1c(C)cc(C)nc1C)c1c(C)cc(cc1Br)C(C)C
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| InChI |
InChI=1S/C25H31BrN4/c1-9-30(24-16(5)11-20(14(2)3)13-21(24)26)25-28-18(7)12-22(29-25)23-15(4)10-17(6)27-19(23)8/h10-14H,9H2,1-8H3
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| InChIKey |
PURVSUKLCQURDE-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