General Information of the Compound
| Compound ID |
CP0848246
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| Compound Name |
1,1-dimethyl-4-(1-phenylcycloheptanecarbonyloxy)piperidinium
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| Structure |
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| Formula |
C21H32NO2+
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| Molecular Weight |
330.492
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| Canonical SMILES |
C[N+]1(C)CCC(OC(=O)C2(c3ccccc3)CCCCCC2)CC1
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| InChI |
InChI=1S/C21H32NO2/c1-22(2)16-12-19(13-17-22)24-20(23)21(14-8-3-4-9-15-21)18-10-6-5-7-11-18/h5-7,10-11,19H,3-4,8-9,12-17H2,1-2H3/q+1
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| InChIKey |
YLLMZSCQYQANKC-UHFFFAOYSA-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