General Information of the Compound
| Compound ID |
CP0095700
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| Compound Name |
2-methyl-1-(3-(3-(methylsulfonyl)phenoxy)phenyl)-4-(trifluoromethyl)-1H-benzo[d]imidazole
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| Structure |
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| Formula |
C22H17F3N2O3S
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| Molecular Weight |
446.45
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| Canonical SMILES |
Cc1nc2c(cccc2n1-c1cccc(Oc2cccc(c2)S(C)(=O)=O)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H17F3N2O3S/c1-14-26-21-19(22(23,24)25)10-5-11-20(21)27(14)15-6-3-7-16(12-15)30-17-8-4-9-18(13-17)31(2,28)29/h3-13H,1-2H3
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| InChIKey |
DGPCIFPFGHXRIB-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