General Information of the Compound
| Compound ID |
CP0236680
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| Compound Name |
2-phenyl-4-(3-prop-2-ynoxyphenyl)-6-(4-prop-2-ynoxyphenyl)pyrimidine
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| Structure |
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| Formula |
C28H20N2O2
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| Molecular Weight |
416.48
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| Canonical SMILES |
C#CCOc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1cccc(OCC#C)c1
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| InChI |
InChI=1S/C28H20N2O2/c1-3-17-31-24-15-13-21(14-16-24)26-20-27(23-11-8-12-25(19-23)32-18-4-2)30-28(29-26)22-9-6-5-7-10-22/h1-2,5-16,19-20H,17-18H2
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| InChIKey |
VOIBGZQAXPGHSU-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B