General Information of the Compound
| Compound ID |
CP0475461
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| Compound Name |
4-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-phenyl-6-(4-prop-2-ynoxyphenyl)pyrimidine
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| Structure |
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| Formula |
C30H24N2O3
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| Molecular Weight |
460.533
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| Canonical SMILES |
CCOc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1
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| InChI |
InChI=1S/C30H24N2O3/c1-4-18-34-25-15-12-22(13-16-25)26-21-27(32-30(31-26)23-10-8-7-9-11-23)24-14-17-28(35-19-5-2)29(20-24)33-6-3/h1-2,7-17,20-21H,6,18-19H2,3H3
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| InChIKey |
GDOVUYXMDVFAOO-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