General Information of the Compound
| Compound ID |
CP0406665
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| Compound Name |
2-[5-(3-nitrophenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
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| Structure |
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| Formula |
C16H10N2O7
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| Molecular Weight |
342.263
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| Canonical SMILES |
OC(=O)CN1C(=O)c2ccc(Oc3cccc(c3)[N+]([O-])=O)cc2C1=O
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| InChI |
InChI=1S/C16H10N2O7/c19-14(20)8-17-15(21)12-5-4-11(7-13(12)16(17)22)25-10-3-1-2-9(6-10)18(23)24/h1-7H,8H2,(H,19,20)
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| InChIKey |
XMGPSFDLTPNHOU-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