General Information of the Compound
| Compound ID |
CP0466105
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| Compound Name |
4-((4-butyl-5-(4-chlorophenethyl)-4H-1,2,4-triazol-3-yl)methyl)-6-chloro-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 |
CCCCn1c(CCc2ccc(Cl)cc2)nnc1CN1C(=O)COc2ccc(Cl)cc12
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| InChI |
InChI=1S/C23H24Cl2N4O2/c1-2-3-12-28-21(11-6-16-4-7-17(24)8-5-16)26-27-22(28)14-29-19-13-18(25)9-10-20(19)31-15-23(29)30/h4-5,7-10,13H,2-3,6,11-12,14-15H2,1H3
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| InChIKey |
MNKUVDKBALYSJU-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