General Information of the Compound
| Compound ID |
CP0562472
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| Compound Name |
US8993565, 1
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| Structure |
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| Formula |
C12H17N3O4
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| Molecular Weight |
267.285
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| Canonical SMILES |
CCOC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C12H17N3O4/c1-2-19-12(17)7-9-13-10(8-11(16)14-9)15-3-5-18-6-4-15/h8H,2-7H2,1H3,(H,13,14,16)
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| InChIKey |
KSZKVHPIAYRXAH-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