General Information of the Compound
| Compound ID |
CP0484228
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| Compound Name |
4-O-(2-bicyclo[2.2.1]heptanyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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| Structure |
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| Formula |
C17H23NO4
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| Molecular Weight |
305.374
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| Canonical SMILES |
CCOC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C
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| InChI |
InChI=1S/C17H23NO4/c1-4-21-17(20)15-9(2)14(10(3)18-15)16(19)22-13-8-11-5-6-12(13)7-11/h11-13,18H,4-8H2,1-3H3
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| InChIKey |
PJTVUMGMCJDNJZ-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