General Information of the Compound
| Compound ID |
CP0874103
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| Compound Name |
3-(Aminomethyl)-N-methyl-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-6-carboxamide hydrochloride
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| Structure |
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| Formula |
C22H26ClN3O2
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| Molecular Weight |
399.922
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| Canonical SMILES |
CNC(=O)c1ccc2c(=O)n(CC(C)C)c(CN)c(-c3ccccc3)c2c1.Cl
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| InChI |
InChI=1S/C22H25N3O2.ClH/c1-14(2)13-25-19(12-23)20(15-7-5-4-6-8-15)18-11-16(21(26)24-3)9-10-17(18)22(25)27;/h4-11,14H,12-13,23H2,1-3H3,(H,24,26);1H
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| InChIKey |
DWPAEEOHTNODKF-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