General Information of the Compound
| Compound ID |
CP0115424
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| Compound Name |
2-[2-[[5-(butylcarbamoyl)-2-methoxyphenyl]methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C22H24FN3O4S
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| Molecular Weight |
445.516
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| Canonical SMILES |
CCCCNC(=O)c1ccc(OC)c(CSc2nc3cc(F)ccc3n2CC(O)=O)c1
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| InChI |
InChI=1S/C22H24FN3O4S/c1-3-4-9-24-21(29)14-5-8-19(30-2)15(10-14)13-31-22-25-17-11-16(23)6-7-18(17)26(22)12-20(27)28/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,24,29)(H,27,28)
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| InChIKey |
PCMUEDIHLGLRQZ-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