General Information of the Compound
| Compound ID |
CP0175325
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| Compound Name |
US8614253, 43-72
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| Structure |
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| Formula |
C17H18N2O4
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| Molecular Weight |
314.341
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| Canonical SMILES |
COc1cc(cc(C=O)c1O)-c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C17H18N2O4/c1-22-15-9-13(8-14(11-20)17(15)21)12-2-3-16(18-10-12)19-4-6-23-7-5-19/h2-3,8-11,21H,4-7H2,1H3
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| InChIKey |
CECZDQAZDANSFX-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