General Information of the Compound
| Compound ID |
CP0505117
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| Compound Name |
(3S,5S,10S)-5-(4-Fluoro-phenyl)-10-(3-methoxy-phenyl)-1,8-dioxa-4-aza-spiro[5.5]undecane
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| Structure |
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| Formula |
C21H24FNO3
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| Molecular Weight |
357.425
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| Canonical SMILES |
COc1cccc(c1)[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1
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| InChI |
InChI=1S/C21H24FNO3/c1-24-19-4-2-3-16(11-19)17-12-21(14-25-13-17)20(23-9-10-26-21)15-5-7-18(22)8-6-15/h2-8,11,17,20,23H,9-10,12-14H2,1H3/t17-,20+,21?/m1/s1
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| InChIKey |
NJCMYNXFMAOJRW-HXOQZHHGSA-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