General Information of the Compound
| Compound ID |
CP0069222
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| Compound Name |
2-(2-chloro-6-fluoroanilino)-1,7,7-trimethyl-N-[3-(trifluoromethyl)phenyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C26H21ClF4N4O2
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| Molecular Weight |
532.925
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| Canonical SMILES |
Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OC(C)(C)Cc3c12
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| InChI |
InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)8-5-9-18(20)28)11-15(22(16)37-25)23(36)32-14-7-4-6-13(10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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| InChIKey |
FDSXGLMEHAVMED-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
Protein ID: PT02025, Prostaglandin E synthase