General Information of the Compound
| Compound ID |
CP0462668
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| Compound Name |
(NE)-N-[2-isoquinolin-3-yl-7-(2-methoxyethoxy)chromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C21H18N2O4
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| Molecular Weight |
362.385
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| Canonical SMILES |
COCCOc1ccc2c(c1)oc(c\c2=N/O)-c1cc2ccccc2cn1
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| InChI |
InChI=1S/C21H18N2O4/c1-25-8-9-26-16-6-7-17-18(23-24)12-21(27-20(17)11-16)19-10-14-4-2-3-5-15(14)13-22-19/h2-7,10-13,24H,8-9H2,1H3/b23-18+
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| InChIKey |
HAUHCOWYHOWKQO-PTGBLXJZSA-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