General Information of the Compound
| Compound ID |
CP0406466
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| Compound Name |
3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-pentafluorophenyl ester 4-(1,2,2-trimethyl-propyl) ester
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| Structure |
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| Formula |
C19H18F5NO4
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| Molecular Weight |
419.346
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| Canonical SMILES |
CC(OC(=O)c1c[nH]c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1C)C(C)(C)C
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| InChI |
InChI=1S/C19H18F5NO4/c1-7-9(17(26)28-8(2)19(3,4)5)6-25-15(7)18(27)29-16-13(23)11(21)10(20)12(22)14(16)24/h6,8,25H,1-5H3
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| InChIKey |
WAGOSWKBIGTMIY-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