General Information of the Compound
| Compound ID |
CP0571656
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| Compound Name |
5-ethyl-N-(furan-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-amine
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| Structure |
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| Formula |
C22H20F3N3O
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| Molecular Weight |
399.416
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| Canonical SMILES |
CCc1ccc2n(Cc3cccc(c3)C(F)(F)F)c(NCc3ccco3)nc2c1
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| InChI |
InChI=1S/C22H20F3N3O/c1-2-15-8-9-20-19(12-15)27-21(26-13-18-7-4-10-29-18)28(20)14-16-5-3-6-17(11-16)22(23,24)25/h3-12H,2,13-14H2,1H3,(H,26,27)
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| InChIKey |
MLYAWLIDVONCMZ-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