General Information of the Compound
| Compound ID |
CP0502696
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| Compound Name |
2-(6,7-Dimethoxy-isoquinolin-1-ylamino)-ethanol
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| Structure |
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| Formula |
C13H16N2O3
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| Molecular Weight |
248.282
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| Canonical SMILES |
COc1cc2ccnc(NCCO)c2cc1OC
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| InChI |
InChI=1S/C13H16N2O3/c1-17-11-7-9-3-4-14-13(15-5-6-16)10(9)8-12(11)18-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15)
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| InChIKey |
AQGBHIGQUZPMDU-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