General Information of the Compound
| Compound ID |
CP0152322
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| Compound Name |
2-amino-1-[3-(2-furoyloxy)propyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C21H20N4O5
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| Molecular Weight |
408.414
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| Canonical SMILES |
CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12
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| InChI |
InChI=1S/C21H20N4O5/c1-2-28-21(27)16-17-19(24-14-8-4-3-7-13(14)23-17)25(18(16)22)10-6-12-30-20(26)15-9-5-11-29-15/h3-5,7-9,11H,2,6,10,12,22H2,1H3
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| InChIKey |
JBIVGEZDJVWZTJ-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