General Information of the Compound
| Compound ID |
CP0353453
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| Compound Name |
(1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(2-methoxy-phenyl)-8-aza-bicyclo[3.2.1]octan-3-ol
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| Formula |
C24H29NO5
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| Molecular Weight |
411.498
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| Canonical SMILES |
COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3OC)Oc12
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| InChI |
InChI=1S/C24H29NO5/c1-27-20-7-4-3-6-19(20)24(26)12-16-10-11-17(13-24)25(16)14-18-15-29-22-9-5-8-21(28-2)23(22)30-18/h3-9,16-18,26H,10-15H2,1-2H3/t16-,17+,18-,24+/m0/s1
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| InChIKey |
UTKSDIMQIFNTAU-ZBLHWPFVSA-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