General Information of the Compound
| Compound ID |
CP0432248
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| Compound Name |
2-[2-[(5-acetyl-2-butoxyphenyl)methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C22H23FN2O4S
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| Molecular Weight |
430.501
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| Canonical SMILES |
CCCCOc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(C)=O
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| InChI |
InChI=1S/C22H23FN2O4S/c1-3-4-9-29-20-8-5-15(14(2)26)10-16(20)13-30-22-24-18-11-17(23)6-7-19(18)25(22)12-21(27)28/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,27,28)
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| InChIKey |
VARJKIVVSDZDKA-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