General Information of the Compound
| Compound ID |
CP0544354
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| Compound Name |
US9278960, 4-98
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| Structure |
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| Formula |
C21H22F3N5O2
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| Molecular Weight |
433.434
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCOC(CC(F)(F)F)C3)ccc12)C(N)=O
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| InChI |
InChI=1S/C21H22F3N5O2/c1-28-11-14(9-26-28)17-7-19(20(25)30)27-18-6-13(2-3-16(17)18)10-29-4-5-31-15(12-29)8-21(22,23)24/h2-3,6-7,9,11,15H,4-5,8,10,12H2,1H3,(H2,25,30)
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| InChIKey |
ATFSSOIYERKWIZ-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