General Information of the Compound
| Compound ID |
CP0379772
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| Compound Name |
US9278960, 4-89
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| Structure |
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| Formula |
C22H20F4N4O
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| Molecular Weight |
432.421
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNCC3C(F)(F)F)cc2n1
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| InChI |
InChI=1S/C22H20F4N4O/c23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)12-30-8-7-28-11-20(30)22(24,25)26/h1-6,9-10,20,28H,7-8,11-12H2,(H2,27,31)
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| InChIKey |
XPERDKCCRFZTSB-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