General Information of the Compound
| Compound ID |
CP0566395
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| Compound Name |
US8575364, 28
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| Structure |
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| Formula |
C17H13F3N2O
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| Molecular Weight |
318.298
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1ccc(C#N)c(OC2CNC2)c1
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| InChI |
InChI=1S/C17H13F3N2O/c18-17(19,20)15-4-2-1-3-14(15)11-5-6-12(8-21)16(7-11)23-13-9-22-10-13/h1-7,13,22H,9-10H2
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| InChIKey |
IZIBFRRPYJEZFD-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