General Information of the Compound
| Compound ID |
CP0506558
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| Compound Name |
(2-Bromo-4,6-dimethoxy-phenyl)-[4-(2-chloro-phenyl)-6-methyl-pyrimidin-2-yl]-ethyl-amine
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| Structure |
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| Formula |
C21H21BrClN3O2
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| Molecular Weight |
462.775
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| Canonical SMILES |
CCN(c1nc(C)cc(n1)-c1ccccc1Cl)c1c(Br)cc(OC)cc1OC
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| InChI |
InChI=1S/C21H21BrClN3O2/c1-5-26(20-16(22)11-14(27-3)12-19(20)28-4)21-24-13(2)10-18(25-21)15-8-6-7-9-17(15)23/h6-12H,5H2,1-4H3
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| InChIKey |
XSDJQDVSQMIYTF-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