General Information of the Compound
| Compound ID |
CP0324936
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| Compound Name |
4-(3-methoxy-4-prop-2-ynoxyphenyl)-2-phenyl-6-(4-prop-2-ynoxyphenyl)pyrimidine
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| Structure |
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| Formula |
C29H22N2O3
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| Molecular Weight |
446.506
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| Canonical SMILES |
COc1cc(ccc1OCC#C)-c1cc(nc(n1)-c1ccccc1)-c1ccc(OCC#C)cc1
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| InChI |
InChI=1S/C29H22N2O3/c1-4-17-33-24-14-11-21(12-15-24)25-20-26(31-29(30-25)22-9-7-6-8-10-22)23-13-16-27(34-18-5-2)28(19-23)32-3/h1-2,6-16,19-20H,17-18H2,3H3
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| InChIKey |
CXBDZLKTYZAQNF-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