General Information of the Compound
| Compound ID |
CP0114199
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| Compound Name |
8-methoxy-N-(2-methyl-2-phenylpropyl)isoquinolin-1-amine
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| Structure |
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| Formula |
C20H22N2O
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| Molecular Weight |
306.409
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| Canonical SMILES |
COc1cccc2ccnc(NCC(C)(C)c3ccccc3)c12
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| InChI |
InChI=1S/C20H22N2O/c1-20(2,16-9-5-4-6-10-16)14-22-19-18-15(12-13-21-19)8-7-11-17(18)23-3/h4-13H,14H2,1-3H3,(H,21,22)
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| InChIKey |
WZDLNTAETYKZDN-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