General Information of the Compound
| Compound ID |
CP0752137
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| Compound Name |
Rac-Ethyl 2-Amino-7-hydroxy-4-(4-nitrophenyl)-4H-chromene-3-carboxylate
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| Structure |
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| Formula |
C18H16N2O6
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| Molecular Weight |
356.334
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| Canonical SMILES |
CCOC(=O)C1=C(N)Oc2cc(O)ccc2C1c1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C18H16N2O6/c1-2-25-18(22)16-15(10-3-5-11(6-4-10)20(23)24)13-8-7-12(21)9-14(13)26-17(16)19/h3-9,15,21H,2,19H2,1H3
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| InChIKey |
PHTAMBMUQWHXLX-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase