General Information of the Compound
| Compound ID |
CP0442926
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| Compound Name |
US8993565, 47
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| Structure |
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| Formula |
C17H16F4N4O3
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| Molecular Weight |
400.332
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| Canonical SMILES |
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C17H16F4N4O3/c18-12-2-1-10(7-11(12)17(19,20)21)22-15(26)8-13-23-14(9-16(27)24-13)25-3-5-28-6-4-25/h1-2,7,9H,3-6,8H2,(H,22,26)(H,23,24,27)
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| InChIKey |
INRMRZQMOPZSHB-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