General Information of the Compound
| Compound ID |
CP0490240
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| Compound Name |
US9409915, 45
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| Structure |
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| Formula |
C22H19F3N6
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| Molecular Weight |
424.43
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| Canonical SMILES |
Cn1nc(c(C#N)c1-c1nc2cc(ncc2[nH]1)-c1ccccc1C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C22H19F3N6/c1-21(2,3)19-13(10-26)18(31(4)30-19)20-28-16-9-15(27-11-17(16)29-20)12-7-5-6-8-14(12)22(23,24)25/h5-9,11H,1-4H3,(H,28,29)
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| InChIKey |
BVLYUURQJUVINF-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