General Information of the Compound
| Compound ID |
CP0507715
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| Compound Name |
(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(3-trifluoromethyl-phenyl)-1,8-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)[C@@H]1NCCOC11COC[C@@H](C1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H21F4NO2/c22-18-6-4-14(5-7-18)19-20(28-9-8-26-19)11-16(12-27-13-20)15-2-1-3-17(10-15)21(23,24)25/h1-7,10,16,19,26H,8-9,11-13H2/t16-,19+,20?/m1/s1
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| InChIKey |
MGGPIJOHTZSPND-UGNHXKFCSA-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