General Information of the Compound
| Compound ID |
CP0910842
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| Compound Name |
(S)-4-(2-cyclopentyl-2-phenylpropanoyloxy)-1,1-dimethylpiperidinium bromide
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| Structure |
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| Formula |
C21H32BrNO2
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| Molecular Weight |
410.396
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| Canonical SMILES |
C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)C1CCCC1.[Br-]
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| InChI |
InChI=1S/C21H32NO2.BrH/c1-21(18-11-7-8-12-18,17-9-5-4-6-10-17)20(23)24-19-13-15-22(2,3)16-14-19;/h4-6,9-10,18-19H,7-8,11-16H2,1-3H3;1H/q+1;/p-1/t21-;/m1./s1
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| InChIKey |
BSGBCJXYGLKSES-ZMBIFBSDSA-M
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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