General Information of the Compound
| Compound ID |
CP0438746
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| Compound Name |
3-Methyl-5-(pyridin-2-ylsulfanylcarbonyl)-1H-pyrrole-2,4-dicarboxylic acid 4-tert-butyl ester 2-propyl ester
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| Structure |
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| Formula |
C20H24N2O5S
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| Molecular Weight |
404.488
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| Canonical SMILES |
CCCOC(=O)c1[nH]c(C(=O)Sc2ccccn2)c(C(=O)OC(C)(C)C)c1C
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| InChI |
InChI=1S/C20H24N2O5S/c1-6-11-26-18(24)15-12(2)14(17(23)27-20(3,4)5)16(22-15)19(25)28-13-9-7-8-10-21-13/h7-10,22H,6,11H2,1-5H3
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| InChIKey |
IOUAJOBNQUYYBP-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