General Information of the Compound
| Compound ID |
CP0496990
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| Compound Name |
5-Acetoxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid 4-tert-butyl ester 2-propyl ester
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| Structure |
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| Formula |
C17H25NO6
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| Molecular Weight |
339.388
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| Canonical SMILES |
CCCOC(=O)c1[nH]c(COC(C)=O)c(C(=O)OC(C)(C)C)c1C
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| InChI |
InChI=1S/C17H25NO6/c1-7-8-22-16(21)14-10(2)13(15(20)24-17(4,5)6)12(18-14)9-23-11(3)19/h18H,7-9H2,1-6H3
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| InChIKey |
HCSBWXKXWZKRTB-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