General Information of the Compound
| Compound ID |
CP0915402
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| Compound Name |
3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C21H23ClN2O3
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| Molecular Weight |
386.879
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| Canonical SMILES |
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C(=O)O)ccc2c1=O.Cl
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| InChI |
InChI=1S/C21H22N2O3.ClH/c1-13(2)12-23-18(11-22)19(14-6-4-3-5-7-14)17-10-15(21(25)26)8-9-16(17)20(23)24;/h3-10,13H,11-12,22H2,1-2H3,(H,25,26);1H
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| InChIKey |
DBVWQHGZWKVRRS-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