General Information of the Compound
| Compound ID |
CP0475462
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| Compound Name |
4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-(4-prop-2-ynoxyphenyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C24H21N3O3
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| Molecular Weight |
399.45
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| Canonical SMILES |
CCOc1cc(ccc1OCC#C)-c1cc(nc(N)n1)-c1ccc(OCC#C)cc1
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| InChI |
InChI=1S/C24H21N3O3/c1-4-13-29-19-10-7-17(8-11-19)20-16-21(27-24(25)26-20)18-9-12-22(30-14-5-2)23(15-18)28-6-3/h1-2,7-12,15-16H,6,13-14H2,3H3,(H2,25,26,27)
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| InChIKey |
UVASWGVWZZTTIA-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