General Information of the Compound
| Compound ID |
CP0050067
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| Compound Name |
2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C19H18N2O4S
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| Molecular Weight |
370.43
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| Canonical SMILES |
COc1ccc(cc1CSc1nc2ccccc2n1CC(O)=O)C(C)=O
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| InChI |
InChI=1S/C19H18N2O4S/c1-12(22)13-7-8-17(25-2)14(9-13)11-26-19-20-15-5-3-4-6-16(15)21(19)10-18(23)24/h3-9H,10-11H2,1-2H3,(H,23,24)
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| InChIKey |
VCLQAHLNTRBSNX-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