General Information of the Compound
| Compound ID |
CP0457312
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| Compound Name |
(2-Bromo-4-isopropyl-phenyl)-[4-(2-dimethylamino-phenyl)-6-methyl-pyrimidin-2-yl]-ethyl-amine
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| Structure |
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| Formula |
C24H29BrN4
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| Molecular Weight |
453.428
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1N(C)C)c1ccc(cc1Br)C(C)C
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| InChI |
InChI=1S/C24H29BrN4/c1-7-29(23-13-12-18(16(2)3)15-20(23)25)24-26-17(4)14-21(27-24)19-10-8-9-11-22(19)28(5)6/h8-16H,7H2,1-6H3
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| InChIKey |
IUAVTUKIJBEVLZ-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