General Information of the Compound
| Compound ID |
CP0486073
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| Compound Name |
(3R)-3-{[Hydroxy(di-3-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C26H30NO4S2+
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| Molecular Weight |
484.663
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| Canonical SMILES |
OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccsc1)c1ccsc1
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| InChI |
InChI=1S/C26H30NO4S2/c28-25(26(29,21-9-15-32-18-21)22-10-16-33-19-22)31-24-17-27(12-7-20(24)8-13-27)11-4-14-30-23-5-2-1-3-6-23/h1-3,5-6,9-10,15-16,18-20,24,29H,4,7-8,11-14,17H2/q+1/t20?,24-,27?/m0/s1
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| InChIKey |
VUHTYJDJRISPLZ-OTBAGVBSSA-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