General Information of the Compound
| Compound ID |
CP0922543
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| Compound Name |
4-((2R,6S)-1,7-dimethyl-3,5-dioxo-10-oxa-4-aza-tricyclo[5.2.1.02,6]d-4-yl)-2-trifluoromethyl-benzonitrile
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| Structure |
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| Formula |
C18H15F3N2O3
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| Molecular Weight |
364.323
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| Canonical SMILES |
CC12CCC(C)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12
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| InChI |
InChI=1S/C18H15F3N2O3/c1-16-5-6-17(2,26-16)13-12(16)14(24)23(15(13)25)10-4-3-9(8-22)11(7-10)18(19,20)21/h3-4,7,12-13H,5-6H2,1-2H3/t12-,13+,16?,17?
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| InChIKey |
PFBMGLARFXVPTE-ZPVISIIKSA-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