General Information of the Compound
| Compound ID |
CP0904563
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| Compound Name |
(R)-quinuclidin-8-yl 1-(thiophen-2-yl)cycloheptanecarboxylate
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| Structure |
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| Formula |
C19H27NO2S
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| Molecular Weight |
333.497
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| Canonical SMILES |
O=C(O[C@H]1CN2CCC1CC2)C1(c2cccs2)CCCCCC1
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| InChI |
InChI=1S/C19H27NO2S/c21-18(22-16-14-20-11-7-15(16)8-12-20)19(17-6-5-13-23-17)9-3-1-2-4-10-19/h5-6,13,15-16H,1-4,7-12,14H2/t16-/m0/s1
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| InChIKey |
IIGOBGCDNPRZDU-INIZCTEOSA-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