General Information of the Compound
| Compound ID |
CP0903852
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| Compound Name |
(3-endo)-1,1-Bis-(4-chlorophenyl)-2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-3-yl)ethanol Iodide
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| Formula |
C23H28Cl2INO
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| Molecular Weight |
532.293
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2.[I-]
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| InChI |
InChI=1S/C23H28Cl2NO.HI/c1-26(2)21-11-12-22(26)14-16(13-21)15-23(27,17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18;/h3-10,16,21-22,27H,11-15H2,1-2H3;1H/q+1;/p-1/t16-,21+,22-;
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| InChIKey |
VNQMCUQGJOXRFO-JVUUFTDCSA-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