General Information of the Compound
| Compound ID |
CP0311103
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| Compound Name |
(1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-8-aza-bicyclo[3.2.1]octan-3-ol
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| Formula |
C26H29NO4S
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| Molecular Weight |
451.588
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| Canonical SMILES |
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12
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| InChI |
InChI=1S/C26H29NO4S/c1-2-29-22-7-5-8-23-25(22)31-19(15-30-23)14-27-17-10-11-18(27)13-26(28,12-17)21-16-32-24-9-4-3-6-20(21)24/h3-9,16-19,28H,2,10-15H2,1H3/t17-,18+,19-,26+/m0/s1
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| InChIKey |
ZRDBRMZLRYNHGP-LNGSLBNHSA-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