General Information of the Compound
| Compound ID |
CP0442486
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| Compound Name |
US9212153, 118,Ex. 84
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| Structure |
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| Formula |
C20H26F3N3O2
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| Molecular Weight |
397.441
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| Canonical SMILES |
COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22CN(C)C(N)=N2)CC1
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| InChI |
InChI=1S/C20H26F3N3O2/c1-26-11-19(25-17(26)24)16-9-15(28-12-20(21,22)23)4-3-13(16)10-18(19)7-5-14(27-2)6-8-18/h3-4,9,14H,5-8,10-12H2,1-2H3,(H2,24,25)
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| InChIKey |
PWSOESGNVPAJGB-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