General Information of the Compound
| Compound ID |
CP0957208
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| Compound Name |
1-Aminomethyl-7-ethoxy-6-methoxy-isoquinoline-4-carboxylic acid ethyl ester hydrochloride
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| Structure |
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| Formula |
C16H21ClN2O4
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| Molecular Weight |
340.807
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| Canonical SMILES |
CCOC(=O)c1cnc(CN)c2cc(OCC)c(OC)cc12.Cl
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| InChI |
InChI=1S/C16H20N2O4.ClH/c1-4-21-15-7-11-10(6-14(15)20-3)12(16(19)22-5-2)9-18-13(11)8-17;/h6-7,9H,4-5,8,17H2,1-3H3;1H
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| InChIKey |
WDVBNCQJLQBPAD-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