General Information of the Compound
| Compound ID |
CP0556025
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| Compound Name |
US8993565, 62
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| Structure |
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| Formula |
C18H20N4O4
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| Molecular Weight |
356.382
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCOc2ccccc12
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| InChI |
InChI=1S/C18H20N4O4/c23-17-12-16(21-5-8-25-9-6-21)19-15(20-17)11-18(24)22-7-10-26-14-4-2-1-3-13(14)22/h1-4,12H,5-11H2,(H,19,20,23)
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| InChIKey |
XXURWBFYWSSZKP-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