General Information of the Compound
| Compound ID |
CP0378064
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| Compound Name |
2-[2-[[5-(ethylcarbamoyl)-2-methoxyphenyl]methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
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| Structure |
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| Formula |
C20H20FN3O4S
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| Molecular Weight |
417.462
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| Canonical SMILES |
CCNC(=O)c1ccc(OC)c(CSc2nc3cc(F)ccc3n2CC(O)=O)c1
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| InChI |
InChI=1S/C20H20FN3O4S/c1-3-22-19(27)12-4-7-17(28-2)13(8-12)11-29-20-23-15-9-14(21)5-6-16(15)24(20)10-18(25)26/h4-9H,3,10-11H2,1-2H3,(H,22,27)(H,25,26)
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| InChIKey |
ZPIPOINWYAQODQ-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