General Information of the Compound
| Compound ID |
CP0246192
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| Compound Name |
US8614253, 43-44
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| Structure |
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| Formula |
C18H16N2O6
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| Molecular Weight |
356.334
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| Canonical SMILES |
Oc1c(C=O)cc(cc1N(=O)=O)-c1cccc(c1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C18H16N2O6/c21-11-15-9-14(10-16(17(15)22)20(24)25)12-2-1-3-13(8-12)18(23)19-4-6-26-7-5-19/h1-3,8-11,22H,4-7H2
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| InChIKey |
AEEJJANOXYIVHN-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