General Information of the Compound
| Compound ID |
CP0297983
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| Compound Name |
2-[4-chloro-2-[2-(3-chlorophenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C16H10Cl2O3
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| Molecular Weight |
321.159
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1C#Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C16H10Cl2O3/c17-13-3-1-2-11(8-13)4-5-12-9-14(18)6-7-15(12)21-10-16(19)20/h1-3,6-9H,10H2,(H,19,20)
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| InChIKey |
LROYLZZPNSRGAA-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: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT04403, Prostaglandin D2 receptor 2