General Information of the Compound
| Compound ID |
CP0904746
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| Compound Name |
1-Aminomethyl-6-methoxy-7-propoxy-isoquinoline-4-carboxylic acid ethyl ester hydrochloride
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| Structure |
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| Formula |
C17H23ClN2O4
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| Molecular Weight |
354.834
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| Canonical SMILES |
CCCOc1cc2c(CN)ncc(C(=O)OCC)c2cc1OC.Cl
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| InChI |
InChI=1S/C17H22N2O4.ClH/c1-4-6-23-16-8-12-11(7-15(16)21-3)13(17(20)22-5-2)10-19-14(12)9-18;/h7-8,10H,4-6,9,18H2,1-3H3;1H
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| InChIKey |
VCNAYXDUNJWXBZ-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