General Information of the Compound
| Compound ID |
CP0486116
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| Compound Name |
4-(4-bromophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propylpyrimidin-2-amine
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| Structure |
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| Formula |
C21H26BrN3
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| Molecular Weight |
400.364
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| Canonical SMILES |
CCCN(C(C1CC1)C1CC1)c1ncc(C)c(n1)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C21H26BrN3/c1-3-12-25(20(16-4-5-16)17-6-7-17)21-23-13-14(2)19(24-21)15-8-10-18(22)11-9-15/h8-11,13,16-17,20H,3-7,12H2,1-2H3
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| InChIKey |
WDUGITGEMFNIMX-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