General Information of the Compound
| Compound ID |
CP0432249
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| Compound Name |
2-[2-[(5-acetyl-2-propoxyphenyl)methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C21H21FN2O4S
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| Molecular Weight |
416.474
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| Canonical SMILES |
CCCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O
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| InChI |
InChI=1S/C21H21FN2O4S/c1-3-8-28-19-7-4-14(13(2)25)9-15(19)12-29-21-23-17-10-16(22)5-6-18(17)24(21)11-20(26)27/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,26,27)
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| InChIKey |
UZHJIJAZDSBJPE-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