General Information of the Compound
| Compound ID |
CP0154070
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| Compound Name |
2-[2-[[5-(2,3-dihydroindole-1-carbonyl)-2-methoxyphenyl]methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C26H22FN3O4S
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| Molecular Weight |
491.544
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| Canonical SMILES |
COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)N1CCc2ccccc12
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| InChI |
InChI=1S/C26H22FN3O4S/c1-34-23-9-6-17(25(33)29-11-10-16-4-2-3-5-21(16)29)12-18(23)15-35-26-28-20-13-19(27)7-8-22(20)30(26)14-24(31)32/h2-9,12-13H,10-11,14-15H2,1H3,(H,31,32)
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| InChIKey |
WYTXJLWGOIYXTG-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