General Information of the Compound
| Compound ID |
CP0117164
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| Compound Name |
US9085576, 168
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| Structure |
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| Formula |
C17H14F4N4O3
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| Molecular Weight |
398.316
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(CF)n2)ccc1F
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| InChI |
InChI=1S/C17H14F4N4O3/c18-5-13-24-11(6-27-13)14(26)23-7-1-2-10(19)8(3-7)17(15(20)21)9-4-12(9)28-16(22)25-17/h1-3,6,9,12,15H,4-5H2,(H2,22,25)(H,23,26)/t9-,12+,17+/m0/s1
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| InChIKey |
ZMWQZZXSNRHAOY-DKRRZFASSA-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