General Information of the Compound
| Compound ID |
CP0058738
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| Compound Name |
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
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| Structure |
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| Formula |
C16H14F3N3O2S
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| Molecular Weight |
369.368
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| Canonical SMILES |
Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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| InChIKey |
MJIHNNLFOKEZEW-UHFFFAOYSA-N
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| CAS |
103577-45-3
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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: PT01049, Cytochrome P450 2C19
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT02089, Cytosolic endo-beta-N-acetylglucosaminidase
Protein ID: PT06109, Geminin
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT06300, Indoleamine 2,3-dioxygenase 2