General Information of the Compound
| Compound ID |
CP0563249
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| Compound Name |
US8993565, 75
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| Structure |
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| Formula |
C18H18F4N4O4
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| Molecular Weight |
430.358
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| Canonical SMILES |
FC(F)C(F)(F)Oc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1
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| InChI |
InChI=1S/C18H18F4N4O4/c19-17(20)18(21,22)30-12-3-1-2-11(8-12)23-15(27)9-13-24-14(10-16(28)25-13)26-4-6-29-7-5-26/h1-3,8,10,17H,4-7,9H2,(H,23,27)(H,24,25,28)
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| InChIKey |
VKNAORZFYXEFPO-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