General Information of the Compound
| Compound ID |
CP0462637
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| Compound Name |
2-[2-[[5-[benzyl(ethyl)carbamoyl]-2-methoxyphenyl]methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C27H26FN3O4S
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| Molecular Weight |
507.587
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)c1ccc(OC)c(CSc2nc3cc(F)ccc3n2CC(O)=O)c1
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| InChI |
InChI=1S/C27H26FN3O4S/c1-3-30(15-18-7-5-4-6-8-18)26(34)19-9-12-24(35-2)20(13-19)17-36-27-29-22-14-21(28)10-11-23(22)31(27)16-25(32)33/h4-14H,3,15-17H2,1-2H3,(H,32,33)
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| InChIKey |
GNSJEAKEIUXEQQ-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