General Information of the Compound
| Compound ID |
CP0089169
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| Compound Name |
US9505765, 191
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| Structure |
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| Formula |
C11H9F3N4O2
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| Molecular Weight |
286.213
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| Canonical SMILES |
NC(=O)\C=C\c1c[nH]c2ncnc(OCC(F)(F)F)c12
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| InChI |
InChI=1S/C11H9F3N4O2/c12-11(13,14)4-20-10-8-6(1-2-7(15)19)3-16-9(8)17-5-18-10/h1-3,5H,4H2,(H2,15,19)(H,16,17,18)/b2-1+
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| InChIKey |
BKXGJUGZEFIAJO-OWOJBTEDSA-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