General Information of the Compound
| Compound ID |
CP0521294
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| Compound Name |
US8993565, 11
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| Structure |
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| Formula |
C17H20N4O4
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| Molecular Weight |
344.371
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| Canonical SMILES |
COc1ccccc1NC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
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| InChI |
InChI=1S/C17H20N4O4/c1-24-13-5-3-2-4-12(13)18-16(22)10-14-19-15(11-17(23)20-14)21-6-8-25-9-7-21/h2-5,11H,6-10H2,1H3,(H,18,22)(H,19,20,23)
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| InChIKey |
VUXSMCAYMJBDHO-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