General Information of the Compound
| Compound ID |
CP0930776
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| Compound Name |
US9187424, 197
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| Structure |
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| Formula |
C20H17F3N4O
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| Molecular Weight |
386.377
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| Canonical SMILES |
Cc1ccc(C2=C(c3cn[nH]n3)C(=O)NC(C#CC3CC3)(C(F)(F)F)C2)cc1
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| InChI |
InChI=1S/C20H17F3N4O/c1-12-2-6-14(7-3-12)15-10-19(20(21,22)23,9-8-13-4-5-13)25-18(28)17(15)16-11-24-27-26-16/h2-3,6-7,11,13H,4-5,10H2,1H3,(H,25,28)(H,24,26,27)
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| InChIKey |
IRURZLPZORGWME-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