General Information of the Compound
| Compound ID |
CP0485411
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| Compound Name |
2-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid
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| Structure |
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| Formula |
C16H16FN3O4S
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| Molecular Weight |
365.386
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| Canonical SMILES |
Cc1nc(cn1C)S(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12
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| InChI |
InChI=1S/C16H16FN3O4S/c1-9-12(7-16(21)22)13-6-11(17)4-5-14(13)20(9)25(23,24)15-8-19(3)10(2)18-15/h4-6,8H,7H2,1-3H3,(H,21,22)
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| InChIKey |
FUMGENIWIXFGTF-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