General Information of the Compound
| Compound ID |
CP0468146
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| Compound Name |
3-[3-[[1-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-5-yl]oxymethyl]phenyl]-5-fluorobenzoic acid
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| Structure |
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| Formula |
C27H27FN2O4
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| Molecular Weight |
462.521
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| Canonical SMILES |
Cn1c2cc(OCc3cccc(c3)-c3cc(F)cc(c3)C(O)=O)ccc2n(CC(C)(C)C)c1=O
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| InChI |
InChI=1S/C27H27FN2O4/c1-27(2,3)16-30-23-9-8-22(14-24(23)29(4)26(30)33)34-15-17-6-5-7-18(10-17)19-11-20(25(31)32)13-21(28)12-19/h5-14H,15-16H2,1-4H3,(H,31,32)
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| InChIKey |
SDTKBVWSPHTXKM-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