General Information of the Compound
| Compound ID |
CP0964943
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| Compound Name |
US9187424, 199
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| Structure |
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| Formula |
C22H23F3N4O
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| Molecular Weight |
416.447
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| Canonical SMILES |
Cc1ccc(C2=C(c3cn[nH]n3)C(=O)NC(C#CCCC(C)C)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C22H23F3N4O/c1-14(2)6-4-5-11-21(22(23,24)25)12-17(16-9-7-15(3)8-10-16)19(20(30)27-21)18-13-26-29-28-18/h7-10,13-14H,4,6,12H2,1-3H3,(H,27,30)(H,26,28,29)
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| InChIKey |
KXTQWUHDYWZZAL-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