General Information of the Compound
| Compound ID |
CP0906708
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| Compound Name |
2-(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,1-di(thiophen-2-yl)ethanol
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| Formula |
C18H23NOS2
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| Molecular Weight |
333.522
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| Canonical SMILES |
CN1[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1cccs1)c1cccs1)C2
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| InChI |
InChI=1S/C18H23NOS2/c1-19-14-6-7-15(19)11-13(10-14)12-18(20,16-4-2-8-21-16)17-5-3-9-22-17/h2-5,8-9,13-15,20H,6-7,10-12H2,1H3/t13-,14+,15-
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| InChIKey |
ZWDDMBUPVUAOHG-QDMKHBRRSA-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