General Information of the Compound
| Compound ID |
CP0442830
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| Compound Name |
US9216182, 2.2
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| Structure |
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| Formula |
C18H25F3N4O2
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| Molecular Weight |
386.418
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(C1)c1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C18H25F3N4O2/c1-13(2)23-7-9-24(10-8-23)17(26)27-15-5-6-25(12-15)16-4-3-14(11-22-16)18(19,20)21/h3-4,11,13,15H,5-10,12H2,1-2H3
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| InChIKey |
PKJXWHAOERGKFE-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