General Information of the Compound
| Compound ID |
CP0486175
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| Compound Name |
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C20H22N4
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| Molecular Weight |
318.424
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| Canonical SMILES |
NCCNc1cc(nc2ccccc12)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C20H22N4/c21-10-11-22-19-13-20(23-18-8-4-3-7-17(18)19)24-12-9-15-5-1-2-6-16(15)14-24/h1-8,13H,9-12,14,21H2,(H,22,23)
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| InChIKey |
XJUMYMCVLXUNSE-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