General Information of the Compound
| Compound ID |
CP0577779
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| Compound Name |
US8993565, 67
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| Structure |
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| Formula |
C13H19N3O4
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| Molecular Weight |
281.312
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| Canonical SMILES |
CCOC(=O)Cc1nc(cc(=O)n1C)N1CCOCC1
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| InChI |
InChI=1S/C13H19N3O4/c1-3-20-13(18)9-10-14-11(8-12(17)15(10)2)16-4-6-19-7-5-16/h8H,3-7,9H2,1-2H3
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| InChIKey |
FKHZYSZINGWAFZ-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