General Information of the Compound
| Compound ID |
CP0566715
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| Compound Name |
US9199981, F34
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| Structure |
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| Formula |
C22H20F2N6O2
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| Molecular Weight |
438.438
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(CNC2CC(F)(F)C2)n1
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| InChI |
InChI=1S/C22H20F2N6O2/c1-13-5-6-14(20-28-19(32-29-20)12-25-15-9-22(23,24)10-15)8-16(13)27-21(31)17-11-26-18-4-2-3-7-30(17)18/h2-8,11,15,25H,9-10,12H2,1H3,(H,27,31)
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| InChIKey |
VWCUNZJDOSTKOT-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