General Information of the Compound
| Compound ID |
CP0550626
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| Compound Name |
US8993612, 18
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| Structure |
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| Formula |
C22H16F3N5O
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| Molecular Weight |
423.398
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| Canonical SMILES |
FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)c2ccc3nccnc3c2)cc1
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| InChI |
InChI=1S/C22H16F3N5O/c23-22(24,25)20-12-19(13-1-2-13)30(29-20)16-6-4-15(5-7-16)28-21(31)14-3-8-17-18(11-14)27-10-9-26-17/h3-13H,1-2H2,(H,28,31)
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| InChIKey |
JHUUUHBVXPRICU-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