General Information of the Compound
| Compound ID |
CP0928196
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| Compound Name |
US9328120, 13
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| Structure |
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| Formula |
C19H20F2N6O
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| Molecular Weight |
386.406
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| Canonical SMILES |
O=c1[nH]c([C@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCC(F)(F)CC1
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| InChI |
InChI=1S/C19H20F2N6O/c20-19(21)6-4-11(5-7-19)27-17-14(10-24-27)18(28)26-16(25-17)13-3-2-12(13)15-22-8-1-9-23-15/h1,8-13H,2-7H2,(H,25,26,28)/t12-,13-/m0/s1
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| InChIKey |
LRRFQGYMGYXVHJ-STQMWFEESA-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