General Information of the Compound
| Compound ID |
CP0498223
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| Compound Name |
(3S,10S)-3-[2-methoxy-5-(trifluoromethoxy)phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]decane
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| Structure |
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| Formula |
C22H24F3NO3
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| Molecular Weight |
407.432
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| Canonical SMILES |
COc1ccc(OC(F)(F)F)cc1[C@H]1COC2(C1)CCCN[C@H]2c1ccccc1
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| InChI |
InChI=1S/C22H24F3NO3/c1-27-19-9-8-17(29-22(23,24)25)12-18(19)16-13-21(28-14-16)10-5-11-26-20(21)15-6-3-2-4-7-15/h2-4,6-9,12,16,20,26H,5,10-11,13-14H2,1H3/t16-,20+,21?/m1/s1
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| InChIKey |
GLCIVEUJSREFOQ-DPVFXHEMSA-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