General Information of the Compound
| Compound ID |
CP0859108
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| Compound Name |
2-(2-(4-methyltetrahydro-2H-pyran-4-yl)vinyl)-5-(2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C22H21F3N2O
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| Molecular Weight |
386.417
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| Canonical SMILES |
CC1(/C=C/c2nc3cc(-c4ccccc4C(F)(F)F)ccc3[nH]2)CCOCC1
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| InChI |
InChI=1S/C22H21F3N2O/c1-21(10-12-28-13-11-21)9-8-20-26-18-7-6-15(14-19(18)27-20)16-4-2-3-5-17(16)22(23,24)25/h2-9,14H,10-13H2,1H3,(H,26,27)/b9-8+
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| InChIKey |
NCPQMYXWLUZKDE-CMDGGOBGSA-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