General Information of the Compound
| Compound ID |
CP0057091
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| Compound Name |
2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid
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| Synonyms |
CRTH2 antagonists (asthma/allergy), Oxagen
OC-000459
OC-1768
OC-2125
OC-2184
OC-459
OC-499
ODC-9101
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| Structure |
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| Formula |
C21H17FN2O2
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| Molecular Weight |
348.377
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| Canonical SMILES |
Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
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| InChIKey |
FATGTHLOZSXOBC-UHFFFAOYSA-N
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| CAS |
851723-84-7
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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: PT02279, Prostacyclin receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2
Clinical Information about the Compound