General Information of the Compound
| Compound ID |
CP0920299
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| Compound Name |
1-Aminomethyl-5,6,7-trimethoxy-isoquinoline-4-carboxylic acid ethyl ester hydrochloride
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| Structure |
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| Formula |
C16H21ClN2O5
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| Molecular Weight |
356.806
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| Canonical SMILES |
CCOC(=O)c1cnc(CN)c2cc(OC)c(OC)c(OC)c12.Cl
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| InChI |
InChI=1S/C16H20N2O5.ClH/c1-5-23-16(19)10-8-18-11(7-17)9-6-12(20-2)14(21-3)15(22-4)13(9)10;/h6,8H,5,7,17H2,1-4H3;1H
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| InChIKey |
JPRFHOXMKADSNV-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