General Information of the Compound
| Compound ID |
CP0554443
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| Compound Name |
US9422293, 17
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| Structure |
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| Formula |
C20H16F6N6
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| Molecular Weight |
454.378
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2ncnc3CCN(CCc23)c2ncccc2C(F)(F)F)nc1
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| InChI |
InChI=1S/C20H16F6N6/c21-19(22,23)12-3-4-16(28-10-12)31-17-13-5-8-32(9-6-15(13)29-11-30-17)18-14(20(24,25)26)2-1-7-27-18/h1-4,7,10-11H,5-6,8-9H2,(H,28,29,30,31)
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| InChIKey |
IVDIROKTESYSAM-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