General Information of the Compound
| Compound ID |
CP0522575
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| Compound Name |
2-[5-fluoro-2-[[2-methoxy-5-(morpholine-4-carbonyl)phenyl]methylsulfanyl]benzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C22H22FN3O5S
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| Molecular Weight |
459.499
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| Canonical SMILES |
COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C22H22FN3O5S/c1-30-19-5-2-14(21(29)25-6-8-31-9-7-25)10-15(19)13-32-22-24-17-11-16(23)3-4-18(17)26(22)12-20(27)28/h2-5,10-11H,6-9,12-13H2,1H3,(H,27,28)
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| InChIKey |
CSBBYBLSMFXROG-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