General Information of the Compound
| Compound ID |
CP0046109
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| Compound Name |
6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C16H17NO4
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| Molecular Weight |
287.315
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| Canonical SMILES |
CCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
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| InChI |
InChI=1S/C16H17NO4/c1-3-20-16(19)15-9(2)14-11(17-15)7-10(8-12(14)18)13-5-4-6-21-13/h4-6,10,17H,3,7-8H2,1-2H3
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| InChIKey |
LAYLXGGTNSMQEK-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3