General Information of the Compound
| Compound ID |
CP0174196
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| Compound Name |
US8614253, 43-78
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| Structure |
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| Formula |
C18H17NO4
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| Molecular Weight |
311.337
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| Canonical SMILES |
Oc1ccc(cc1C=O)-c1cccc(c1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C18H17NO4/c20-12-16-11-14(4-5-17(16)21)13-2-1-3-15(10-13)18(22)19-6-8-23-9-7-19/h1-5,10-12,21H,6-9H2
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| InChIKey |
HXDYQAKGKOSARP-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