General Information of the Compound
| Compound ID |
CP0438220
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| Compound Name |
6-chloro-4-((5-(4-chlorophenethyl)-4-isobutyl-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 |
C23H24Cl2N4O2
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| Molecular Weight |
459.377
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| Canonical SMILES |
CC(C)Cn1c(CCc2ccc(Cl)cc2)nnc1CN1C(=O)COc2ccc(Cl)cc12
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| InChI |
InChI=1S/C23H24Cl2N4O2/c1-15(2)12-29-21(10-5-16-3-6-17(24)7-4-16)26-27-22(29)13-28-19-11-18(25)8-9-20(19)31-14-23(28)30/h3-4,6-9,11,15H,5,10,12-14H2,1-2H3
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| InChIKey |
MMDFTOQSSNEMNP-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