General Information of the Compound
| Compound ID |
CP0449366
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| Compound Name |
(2-Bromo-4,6-dimethoxy-phenyl)-ethyl-[4-(2-methoxy-phenyl)-6-methyl-pyrimidin-2-yl]-amine
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| Structure |
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| Formula |
C22H24BrN3O3
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| Molecular Weight |
458.356
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1OC)c1c(Br)cc(OC)cc1OC
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| InChI |
InChI=1S/C22H24BrN3O3/c1-6-26(21-17(23)12-15(27-3)13-20(21)29-5)22-24-14(2)11-18(25-22)16-9-7-8-10-19(16)28-4/h7-13H,6H2,1-5H3
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| InChIKey |
BLZURCDEJGRCOY-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