General Information of the Compound
| Compound ID |
CP0885814
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| Compound Name |
1-Aminomethyl-5,8-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester hydrochloride
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| Structure |
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| Formula |
C15H19ClN2O4
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| Molecular Weight |
326.78
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| Canonical SMILES |
CCOC(=O)c1cnc(CN)c2c(OC)ccc(OC)c12.Cl
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| InChI |
InChI=1S/C15H18N2O4.ClH/c1-4-21-15(18)9-8-17-10(7-16)14-12(20-3)6-5-11(19-2)13(9)14;/h5-6,8H,4,7,16H2,1-3H3;1H
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| InChIKey |
QUCTZRUYEHXLEF-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