General Information of the Compound
| Compound ID |
CP0540595
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| Compound Name |
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine
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| Structure |
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| Formula |
C27H26N6O
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| Molecular Weight |
450.546
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc2c(N)nccc2c1
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| InChI |
InChI=1S/C27H26N6O/c1-33(2)15-16-34-22-6-3-19(4-7-22)27-31-24(18-9-12-29-13-10-18)25(32-27)21-5-8-23-20(17-21)11-14-30-26(23)28/h3-14,17H,15-16H2,1-2H3,(H2,28,30)(H,31,32)
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| InChIKey |
RRUFIJJHNROCPL-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