General Information of the Compound
| Compound ID |
CP0920112
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| Compound Name |
(3-endo)-1,1-Bis-(3-thienyl)-2-(8,8-dimethyl-8-azoniabicyclo-[3.2.1]oct-3-yl)ethanol Iodide
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| Formula |
C19H26INOS2
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| Molecular Weight |
475.461
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| Canonical SMILES |
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(O)(c1ccsc1)c1ccsc1)C2.[I-]
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| InChI |
InChI=1S/C19H26NOS2.HI/c1-20(2)17-3-4-18(20)10-14(9-17)11-19(21,15-5-7-22-12-15)16-6-8-23-13-16;/h5-8,12-14,17-18,21H,3-4,9-11H2,1-2H3;1H/q+1;/p-1/t14-,17+,18-;
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| InChIKey |
FBNQFIVNCJFTPB-CBROWBKPSA-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