General Information of the Compound
Compound ID |
CP0456340
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Compound Name |
6-chloro-4-((5-(4-chlorophenethyl)-4-cyclopropyl-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 |
C22H20Cl2N4O2
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Molecular Weight |
443.334
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Canonical SMILES |
Clc1ccc(CCc2nnc(CN3C(=O)COc4ccc(Cl)cc34)n2C2CC2)cc1
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InChI |
InChI=1S/C22H20Cl2N4O2/c23-15-4-1-14(2-5-15)3-10-20-25-26-21(28(20)17-7-8-17)12-27-18-11-16(24)6-9-19(18)30-13-22(27)29/h1-2,4-6,9,11,17H,3,7-8,10,12-13H2
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InChIKey |
PUVUQMBSXQATIU-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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