General Information of the Compound
| Compound ID |
CP0159981
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| Compound Name |
4-(3-prop-2-ynoxyphenyl)-6-(4-prop-2-ynoxyphenyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C22H17N3O2
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| Molecular Weight |
355.397
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| Canonical SMILES |
Nc1nc(cc(n1)-c1cccc(OCC#C)c1)-c1ccc(OCC#C)cc1
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| InChI |
InChI=1S/C22H17N3O2/c1-3-12-26-18-10-8-16(9-11-18)20-15-21(25-22(23)24-20)17-6-5-7-19(14-17)27-13-4-2/h1-2,5-11,14-15H,12-13H2,(H2,23,24,25)
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| InChIKey |
FEJHYRBVVQJOGE-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