General Information of the Compound
| Compound ID |
CP0574824
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| Compound Name |
US8993557, 41
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| Structure |
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| Formula |
C21H16F4N2O3
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| Molecular Weight |
420.362
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| Canonical SMILES |
Oc1c(ccn(CC(F)(F)F)c1=O)C(=O)NCc1ccccc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H16F4N2O3/c22-15-7-5-13(6-8-15)16-4-2-1-3-14(16)11-26-19(29)17-9-10-27(12-21(23,24)25)20(30)18(17)28/h1-10,28H,11-12H2,(H,26,29)
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| InChIKey |
GLMWTHDKDHKJTD-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