General Information of the Compound
| Compound ID |
CP0894657
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| Compound Name |
(3-endo)-3-[2-Hydroxy-2,2-bis(2-methylphenyl)ethyl]-9,9-dimethyl-9-azoniabicyclo[3.3.1]nonane Iodide
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| Formula |
C26H36INO
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| Molecular Weight |
505.484
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| Canonical SMILES |
Cc1ccccc1C(O)(C[C@H]1C[C@H]2CCC[C@@H](C1)[N+]2(C)C)c1ccccc1C.[I-]
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| InChI |
InChI=1S/C26H36NO.HI/c1-19-10-5-7-14-24(19)26(28,25-15-8-6-11-20(25)2)18-21-16-22-12-9-13-23(17-21)27(22,3)4;/h5-8,10-11,14-15,21-23,28H,9,12-13,16-18H2,1-4H3;1H/q+1;/p-1/t21-,22+,23-;
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| InChIKey |
MVZOBVHMXSHKRY-JCNHLJMTSA-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