General Information of the Compound
| Compound ID |
CP0410173
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| Compound Name |
ethyl 3-[(Z)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]pyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
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| Structure |
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| Formula |
C23H19N2O2S2+
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| Molecular Weight |
419.551
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| Canonical SMILES |
CCOC(=O)c1cc(\C=C\c2sc3ccccc3[n+]2C)c2sc3ccccc3n12
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| InChI |
InChI=1S/C23H19N2O2S2/c1-3-27-23(26)18-14-15(22-25(18)17-9-5-7-11-20(17)29-22)12-13-21-24(2)16-8-4-6-10-19(16)28-21/h4-14H,3H2,1-2H3/q+1
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| InChIKey |
HOJRLCKWEMQNGY-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor