General Information of the Compound
| Compound ID |
CP0186826
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| Compound Name |
CAS_39484
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| Synonyms |
1-methyl-4-phenylpyridinium
MPP+
cyperquat
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| Structure |
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| Formula |
C12H12N+
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| Molecular Weight |
170.235
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| Canonical SMILES |
C[n+]1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
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| InChIKey |
FMGYKKMPNATWHP-UHFFFAOYSA-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
Protein ID: PT06420, POU domain, class 2, transcription factor 2
Protein ID: PT06157, Solute carrier family 22 member 1
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT04368, Solute carrier family 22 member 2
Clinical Information about the Compound
Drug 1 ( MPP+ )
| Drug Name | MPP+ | ||
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