General Information of the Compound
| Compound ID |
CP0505270
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| Compound Name |
4-(4-Aminomethyl-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C18H24N2O5
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| Molecular Weight |
348.399
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| Canonical SMILES |
CCOC(=O)CCCn1cc(CN)c2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C18H24N2O5/c1-4-25-17(21)6-5-7-20-11-12(10-19)13-8-15(23-2)16(24-3)9-14(13)18(20)22/h8-9,11H,4-7,10,19H2,1-3H3
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| InChIKey |
GYBCBOHESZEEPM-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