General Information of the Compound
| Compound ID |
CP0883586
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| Compound Name |
1-Aminomethyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid propylamide hydrochloride
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| Structure |
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| Formula |
C16H22ClN3O3
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| Molecular Weight |
339.823
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| Canonical SMILES |
CCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12.Cl
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| InChI |
InChI=1S/C16H21N3O3.ClH/c1-4-5-18-16(20)12-9-19-13(8-17)11-7-15(22-3)14(21-2)6-10(11)12;/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20);1H
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| InChIKey |
ZUZPPXKUYAALEB-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