General Information of the Compound
| Compound ID |
CP0454879
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| Compound Name |
3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-pyridin-3-yl ester 4-(1,2,2-trimethyl-propyl) ester
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| Structure |
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| Formula |
C18H22N2O4
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| Molecular Weight |
330.384
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| Canonical SMILES |
CC(OC(=O)c1c[nH]c(C(=O)Oc2cccnc2)c1C)C(C)(C)C
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| InChI |
InChI=1S/C18H22N2O4/c1-11-14(16(21)23-12(2)18(3,4)5)10-20-15(11)17(22)24-13-7-6-8-19-9-13/h6-10,12,20H,1-5H3
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| InChIKey |
XSTONGFHFLQEPU-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