General Information of the Compound
| Compound ID |
CP0448918
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| Compound Name |
3,5-Dimethyl-pyrrole-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester 2-propyl ester
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| Structure |
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| Formula |
C20H31NO6
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| Molecular Weight |
381.469
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| Canonical SMILES |
CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C20H31NO6/c1-10-11-25-17(23)15-12(2)14(16(22)26-19(4,5)6)13(3)21(15)18(24)27-20(7,8)9/h10-11H2,1-9H3
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| InChIKey |
YOWWMLXWAWBJLP-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