General Information of the Compound
| Compound ID |
CP0398901
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| Compound Name |
3-(4-morpholinyl)-2-phenyl-1-(4-propoxyphenyl)-1-propanone
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| Structure |
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| Formula |
C22H27NO3
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| Molecular Weight |
353.462
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| Canonical SMILES |
CCCOc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
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| InChI |
InChI=1S/C22H27NO3/c1-2-14-26-20-10-8-19(9-11-20)22(24)21(18-6-4-3-5-7-18)17-23-12-15-25-16-13-23/h3-11,21H,2,12-17H2,1H3
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| InChIKey |
WVAHEPZRTLCPMI-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2