General Information of the Compound
| Compound ID |
CP0398464
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| Compound Name |
2-hydroxy-N-[(3S)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]-2,2-dithiophen-2-ylacetamide;bromide
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| Structure |
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| Formula |
C26H31BrN2O3S2
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| Molecular Weight |
563.583
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| Canonical SMILES |
[Br-].OC(C(=O)N[C@@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C26H30N2O3S2.BrH/c29-25(26(30,23-9-4-17-32-23)24-10-5-18-33-24)27-22-19-28(14-11-20(22)12-15-28)13-6-16-31-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,30H,6,11-16,19H2;1H/t20?,22-,28?;/m1./s1
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| InChIKey |
HMMFYOXCKMHKFL-PIJXPWFJSA-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