General Information of the Compound
| Compound ID |
CP0860110
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| Compound Name |
2-(2-(tetrahydro-2H-thiopyran-4-yl)vinyl)-5-(2-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C21H19F3N2S
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| Molecular Weight |
388.458
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1ccc2[nH]c(/C=C/C3CCSCC3)nc2c1
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| InChI |
InChI=1S/C21H19F3N2S/c22-21(23,24)17-4-2-1-3-16(17)15-6-7-18-19(13-15)26-20(25-18)8-5-14-9-11-27-12-10-14/h1-8,13-14H,9-12H2,(H,25,26)/b8-5+
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| InChIKey |
NAABYOVXAANEPC-VMPITWQZSA-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