General Information of the Compound
| Compound ID |
CP0429416
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| Compound Name |
1-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]amino]propan-2-ol
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
CC(O)CNc1cc(nc2ccccc12)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C21H23N3O/c1-15(25)13-22-20-12-21(23-19-9-5-4-8-18(19)20)24-11-10-16-6-2-3-7-17(16)14-24/h2-9,12,15,25H,10-11,13-14H2,1H3,(H,22,23)
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| InChIKey |
YKSLPHFCCBDTEM-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