General Information of the Compound
| Compound ID |
CP0219148
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| Compound Name |
(1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-naphthalen-2-yl-8-aza-bicyclo[3.2.1]octan-3-ol
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| Formula |
C28H31NO4
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| Molecular Weight |
445.559
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| Canonical SMILES |
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12
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| InChI |
InChI=1S/C28H31NO4/c1-2-31-25-8-5-9-26-27(25)33-24(18-32-26)17-29-22-12-13-23(29)16-28(30,15-22)21-11-10-19-6-3-4-7-20(19)14-21/h3-11,14,22-24,30H,2,12-13,15-18H2,1H3/t22-,23+,24-,28+/m0/s1
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| InChIKey |
AUXWBPCHSXLAFX-NLJXWPIHSA-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