General Information of the Compound
| Compound ID |
CP0867847
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| Compound Name |
5-carboxy-6-acetoxy-1,1,3,3-tetramethylisoin-2-yloxyl
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| Structure |
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| Formula |
C15H18NO5
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| Molecular Weight |
292.311
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| Canonical SMILES |
CC(=O)Oc1cc2c(cc1C(=O)O)C(C)(C)N([O])C2(C)C
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| InChI |
InChI=1S/C15H18NO5/c1-8(17)21-12-7-11-10(6-9(12)13(18)19)14(2,3)16(20)15(11,4)5/h6-7H,1-5H3,(H,18,19)
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| InChIKey |
MXGZTKGCJNIBAL-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