General Information of the Compound
| Compound ID |
CP0502490
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| Compound Name |
3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-isopropyl ester 4-(1,2,2-trimethyl-propyl) ester
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| Structure |
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| Formula |
C16H25NO4
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| Molecular Weight |
295.379
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| Canonical SMILES |
CCCOC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
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| InChI |
InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(9-17-13)14(18)21-11(3)16(4,5)6/h9,11,17H,7-8H2,1-6H3
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| InChIKey |
UUBWTXAAXQMDJM-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