General Information of the Compound
| Compound ID |
CP0408645
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| Compound Name |
(3-fluoranyl-4-methoxy-phenyl)methyl 2-morpholin-4-yl-5-nitro-benzoate
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| Structure |
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| Formula |
C19H19FN2O6
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| Molecular Weight |
390.367
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| Canonical SMILES |
COc1ccc(COC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)cc1F
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| InChI |
InChI=1S/C19H19FN2O6/c1-26-18-5-2-13(10-16(18)20)12-28-19(23)15-11-14(22(24)25)3-4-17(15)21-6-8-27-9-7-21/h2-5,10-11H,6-9,12H2,1H3
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| InChIKey |
GQIURKFIXVCNMB-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8