General Information of the Compound
| Compound ID |
CP0944843
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| Compound Name |
3-(Aminomethyl)-6-hydroxy-2-(2-methylpropyl)-4-phenylisoquinolin-1(2H)-one hydrochloride
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| Structure |
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| Formula |
C20H23ClN2O2
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| Molecular Weight |
358.869
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| Canonical SMILES |
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(O)ccc2c1=O.Cl
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| InChI |
InChI=1S/C20H22N2O2.ClH/c1-13(2)12-22-18(11-21)19(14-6-4-3-5-7-14)17-10-15(23)8-9-16(17)20(22)24;/h3-10,13,23H,11-12,21H2,1-2H3;1H
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| InChIKey |
YQGWVLPCZDQASK-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