General Information of the Compound
| Compound ID |
CP0236682
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| Compound Name |
4-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-methyl-6-(4-prop-2-ynoxyphenyl)pyrimidine
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| Structure |
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| Formula |
C25H22N2O3
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| Molecular Weight |
398.462
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| Canonical SMILES |
CCOc1cc(ccc1OCC#C)-c1cc(nc(C)n1)-c1ccc(OCC#C)cc1
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| InChI |
InChI=1S/C25H22N2O3/c1-5-14-29-21-11-8-19(9-12-21)22-17-23(27-18(4)26-22)20-10-13-24(30-15-6-2)25(16-20)28-7-3/h1-2,8-13,16-17H,7,14-15H2,3-4H3
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| InChIKey |
NTZHDBRFVHJIHC-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