General Information of the Compound
| Compound ID |
CP0280056
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| Compound Name |
(1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-(3-trifluoromethyl-phenyl)-8-aza-bicyclo[3.2.1]octan-3-ol
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| Formula |
C25H28F3NO4
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| Molecular Weight |
463.496
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| Canonical SMILES |
CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12
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| InChI |
InChI=1S/C25H28F3NO4/c1-2-31-21-7-4-8-22-23(21)33-20(15-32-22)14-29-18-9-10-19(29)13-24(30,12-18)16-5-3-6-17(11-16)25(26,27)28/h3-8,11,18-20,30H,2,9-10,12-15H2,1H3/t18-,19+,20-,24+/m0/s1
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| InChIKey |
DHPMRJVQVJNDOM-CMCWBKRRSA-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