General Information of the Compound
| Compound ID |
CP0397229
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| Compound Name |
(3S,5S,10S)-10-(2,5-Dimethoxy-phenyl)-5-(4-fluoro-phenyl)-1,8-dioxa-4-aza-spiro[5.5]undecane
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| Structure |
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| Formula |
C22H26FNO4
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| Molecular Weight |
387.451
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| Canonical SMILES |
COc1ccc(OC)c(c1)[C@H]1COCC2(C1)OCCN[C@H]2c1ccc(F)cc1
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| InChI |
InChI=1S/C22H26FNO4/c1-25-18-7-8-20(26-2)19(11-18)16-12-22(14-27-13-16)21(24-9-10-28-22)15-3-5-17(23)6-4-15/h3-8,11,16,21,24H,9-10,12-14H2,1-2H3/t16-,21+,22?/m1/s1
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| InChIKey |
MQBYITUBYNOORJ-NKWVPACGSA-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