General Information of the Compound
| Compound ID |
CP0433273
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| Compound Name |
2-[4-chloro-2-[2-(1,1-dioxo-1-benzothiophen-6-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C18H11ClO5S
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| Molecular Weight |
374.801
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1C#Cc1ccc2C=CS(=O)(=O)c2c1
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| InChI |
InChI=1S/C18H11ClO5S/c19-15-5-6-16(24-11-18(20)21)14(10-15)4-2-12-1-3-13-7-8-25(22,23)17(13)9-12/h1,3,5-10H,11H2,(H,20,21)
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| InChIKey |
VTYQABWKPJKFCB-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