General Information of the Compound
| Compound ID |
CP0969845
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| Compound Name |
(3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(((2-(methylamino)quinolin-7-yl)oxy)methyl)phenyl)methanol
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| Formula |
C24H22N6O2
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| Molecular Weight |
426.48
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| Canonical SMILES |
CNc1ccc2ccc(OCc3cc(CO)cc(-c4c[nH]c5c(N)ncnc45)c3)cc2n1
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| InChI |
InChI=1S/C24H22N6O2/c1-26-21-5-3-16-2-4-18(9-20(16)30-21)32-12-15-6-14(11-31)7-17(8-15)19-10-27-23-22(19)28-13-29-24(23)25/h2-10,13,27,31H,11-12H2,1H3,(H,26,30)(H2,25,28,29)
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| InChIKey |
YHYBCSMFDJLAJA-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