General Information of the Compound
| Compound ID |
CP0378076
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| Compound Name |
(1-Benzenesulfonyl-5-fluoro-2-methyl-1H-indol-3-yl)-acetic acid
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| Structure |
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| Formula |
C17H14FNO4S
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| Molecular Weight |
347.367
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| Canonical SMILES |
Cc1c(CC(O)=O)c2cc(F)ccc2n1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C17H14FNO4S/c1-11-14(10-17(20)21)15-9-12(18)7-8-16(15)19(11)24(22,23)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,20,21)
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| InChIKey |
KUSDXXPMRBUTNN-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2