General Information of the Compound
| Compound ID |
CP0259182
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| Compound Name |
2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-[3-(5-prop-1-ynylpyridin-3-yl)phenyl]imidazol-4-amine
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| Structure |
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| Formula |
C27H26N4O
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| Molecular Weight |
422.532
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| Canonical SMILES |
COc1c(C)cc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncc(c1)C#CC
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| InChI |
InChI=1S/C27H26N4O/c1-6-8-20-13-22(16-29-15-20)21-9-7-10-23(14-21)27(30-19(4)26(28)31-27)24-11-17(2)25(32-5)18(3)12-24/h7,9-16H,1-5H3,(H2,28,31)
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| InChIKey |
KQOKXSWNRISXBF-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