General Information of the Compound
| Compound ID |
CP0331578
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| Compound Name |
US9238644, 64
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| Structure |
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| Formula |
C23H22F3N5O2
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| Molecular Weight |
457.456
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| Canonical SMILES |
COc1ccc(Nc2ncc(c(CCc3ccccc3C3(CC3)C(N)=O)n2)C(F)(F)F)cn1
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| InChI |
InChI=1S/C23H22F3N5O2/c1-33-19-9-7-15(12-28-19)30-21-29-13-17(23(24,25)26)18(31-21)8-6-14-4-2-3-5-16(14)22(10-11-22)20(27)32/h2-5,7,9,12-13H,6,8,10-11H2,1H3,(H2,27,32)(H,29,30,31)
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| InChIKey |
REZLRWDJAZYYMQ-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