General Information of the Compound
| Compound ID |
CP0541782
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| Compound Name |
(NE)-N-(2-isoquinolin-3-yl-6-methoxychromen-4-ylidene)hydroxylamine
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| Structure |
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| Formula |
C19H14N2O3
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| Molecular Weight |
318.332
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| Canonical SMILES |
COc1ccc2oc(c\c(=N/O)c2c1)-c1cc2ccccc2cn1
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| InChI |
InChI=1S/C19H14N2O3/c1-23-14-6-7-18-15(9-14)16(21-22)10-19(24-18)17-8-12-4-2-3-5-13(12)11-20-17/h2-11,22H,1H3/b21-16+
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| InChIKey |
YQUPDDGFXHEPHO-LTGZKZEYSA-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