General Information of the Compound
| Compound ID |
CP0466104
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| Compound Name |
4-((5-(4-chlorophenethyl)-4-ethyl-4H-1,2,4-triazol-3-yl)methyl)-6-(trifluoromethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C22H20ClF3N4O2
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| Molecular Weight |
464.875
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| Canonical SMILES |
CCn1c(CCc2ccc(Cl)cc2)nnc1CN1C(=O)COc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C22H20ClF3N4O2/c1-2-29-19(10-5-14-3-7-16(23)8-4-14)27-28-20(29)12-30-17-11-15(22(24,25)26)6-9-18(17)32-13-21(30)31/h3-4,6-9,11H,2,5,10,12-13H2,1H3
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| InChIKey |
UBAZMUIZTBCXFX-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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2