General Information of the Compound
| Compound ID |
CP0456427
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| Compound Name |
2-(1-butylsulfonyl-5-fluoro-2-methylindol-3-yl)acetic acid
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| Structure |
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| Formula |
C15H18FNO4S
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| Molecular Weight |
327.377
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| Canonical SMILES |
CCCCS(=O)(=O)n1c(C)c(CC(O)=O)c2cc(F)ccc12
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| InChI |
InChI=1S/C15H18FNO4S/c1-3-4-7-22(20,21)17-10(2)12(9-15(18)19)13-8-11(16)5-6-14(13)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,19)
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| InChIKey |
PLUFPQZYPPYBJR-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