General Information of the Compound
| Compound ID |
CP0395078
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| Compound Name |
5-(4-Fluoro-phenyl)-9-(3-trifluoromethyl-phenyl)-1,7-dioxa-4-aza-spiro[5.5]undecane
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| Structure |
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| Formula |
C21H21F4NO2
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| Molecular Weight |
395.396
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| Canonical SMILES |
Fc1ccc(cc1)C1NCCOC11CCC(CO1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F4NO2/c22-18-6-4-14(5-7-18)19-20(27-11-10-26-19)9-8-16(13-28-20)15-2-1-3-17(12-15)21(23,24)25/h1-7,12,16,19,26H,8-11,13H2
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| InChIKey |
XPLBDFVPBOIMJN-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