General Information of the Compound
| Compound ID |
CP0438221
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| Compound Name |
6-chloro-4-((5-(4-chlorophenethyl)-4-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-3-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C22H19Cl2F3N4O2
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| Molecular Weight |
499.32
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| Canonical SMILES |
FC(F)(F)CCn1c(CCc2ccc(Cl)cc2)nnc1CN1C(=O)COc2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H19Cl2F3N4O2/c23-15-4-1-14(2-5-15)3-8-19-28-29-20(30(19)10-9-22(25,26)27)12-31-17-11-16(24)6-7-18(17)33-13-21(31)32/h1-2,4-7,11H,3,8-10,12-13H2
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| InChIKey |
ISBVATVMXFXDJZ-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