General Information of the Compound
| Compound ID |
CP0866525
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| Compound Name |
US9212147, 28
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| Structure |
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| Formula |
C15H12F2N2O2
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| Molecular Weight |
290.269
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| Canonical SMILES |
O=c1[nH]nc(CCc2ccc(C#CC(F)F)cc2)cc1O
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| InChI |
InChI=1S/C15H12F2N2O2/c16-14(17)8-6-11-3-1-10(2-4-11)5-7-12-9-13(20)15(21)19-18-12/h1-4,9,14H,5,7H2,(H,18,20)(H,19,21)
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| InChIKey |
NQBGIIRTJLRSSZ-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