General Information of the Compound
| Compound ID |
CP0577910
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| Compound Name |
(3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C27H32NO3S2+
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| Molecular Weight |
482.691
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| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C27H32NO3S2/c29-26(27(30,24-11-6-18-32-24)25-12-7-19-33-25)31-23-20-28(16-13-22(23)14-17-28)15-5-4-10-21-8-2-1-3-9-21/h1-3,6-9,11-12,18-19,22-23,30H,4-5,10,13-17,20H2/q+1/t22?,23-,28?/m0/s1
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| InChIKey |
TWCNWISPABVKII-CBQRAPNFSA-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