General Information of the Compound
| Compound ID |
CP0221748
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| Compound Name |
(4-methoxyphenyl)-(2-morpholin-4-yl-5-nitro-phenyl)methanone
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| Structure |
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| Formula |
C18H18N2O5
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| Molecular Weight |
342.351
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| Canonical SMILES |
COc1ccc(cc1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H18N2O5/c1-24-15-5-2-13(3-6-15)18(21)16-12-14(20(22)23)4-7-17(16)19-8-10-25-11-9-19/h2-7,12H,8-11H2,1H3
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| InChIKey |
AJGUNSPGEMSDLA-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: PT06124, Paired box protein Pax-8