General Information of the Compound
| Compound ID |
CP0501620
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| Compound Name |
4-((5-(4-chlorobenzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)methyl)-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C20H18ClN5O4S
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| Molecular Weight |
459.915
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| Canonical SMILES |
CCn1c(CN2C(=O)COc3ccc(cc23)[N+]([O-])=O)nnc1SCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H18ClN5O4S/c1-2-24-18(22-23-20(24)31-12-13-3-5-14(21)6-4-13)10-25-16-9-15(26(28)29)7-8-17(16)30-11-19(25)27/h3-9H,2,10-12H2,1H3
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| InChIKey |
YIAFOAVSDIKDMZ-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