General Information of the Compound
| Compound ID |
CP0432800
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| Compound Name |
2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium
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| Structure |
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| Formula |
C16H13ClNS+
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| Molecular Weight |
286.807
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| Canonical SMILES |
C[n+]1c(\C=C\c2ccccc2Cl)sc2ccccc12
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| InChI |
InChI=1S/C16H13ClNS/c1-18-14-8-4-5-9-15(14)19-16(18)11-10-12-6-2-3-7-13(12)17/h2-11H,1H3/q+1/b11-10+
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| InChIKey |
LGXUCPIPLWTLIG-ZHACJKMWSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor