General Information of the Compound
| Compound ID |
CP0487270
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| Compound Name |
2-[2-[(5-benzoyl-2-methoxyphenyl)methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C24H19FN2O4S
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| Molecular Weight |
450.491
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| Canonical SMILES |
COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)c1ccccc1
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| InChI |
InChI=1S/C24H19FN2O4S/c1-31-21-10-7-16(23(30)15-5-3-2-4-6-15)11-17(21)14-32-24-26-19-12-18(25)8-9-20(19)27(24)13-22(28)29/h2-12H,13-14H2,1H3,(H,28,29)
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| InChIKey |
IIXKAEWEDOHWGG-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