General Information of the Compound
| Compound ID |
CP0539897
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| Compound Name |
US8993565, 153
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| Structure |
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| Formula |
C17H17F3N4O4
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| Molecular Weight |
398.341
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| Canonical SMILES |
Oc1c(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cccc1C(F)(F)F
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| InChI |
InChI=1S/C17H17F3N4O4/c18-17(19,20)10-2-1-3-11(16(10)27)21-14(25)8-12-22-13(9-15(26)23-12)24-4-6-28-7-5-24/h1-3,9,27H,4-8H2,(H,21,25)(H,22,23,26)
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| InChIKey |
DXJQKZBXXHANGV-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