General Information of the Compound
| Compound ID |
CP0515407
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| Compound Name |
US9409917, 57
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| Structure |
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| Formula |
C16H12F4N2O3
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| Molecular Weight |
356.275
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| Canonical SMILES |
Fc1cc(CNC(=O)C2COc3ncccc23)ccc1OC(F)(F)F
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| InChI |
InChI=1S/C16H12F4N2O3/c17-12-6-9(3-4-13(12)25-16(18,19)20)7-22-14(23)11-8-24-15-10(11)2-1-5-21-15/h1-6,11H,7-8H2,(H,22,23)
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| InChIKey |
XCXPKEUZIQGOOP-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