General Information of the Compound
| Compound ID |
CP0641125
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| Compound Name |
N-(5-(2-(Dimethylamino)ethoxy)pyridin-2-yl)-6-(1H-indol-1-yl)pyrimidin-4-amine
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| Structure |
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| Formula |
C21H22N6O
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| Molecular Weight |
374.448
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| Canonical SMILES |
CN(C)CCOc1ccc(Nc2cc(-n3ccc4ccccc43)ncn2)nc1
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| InChI |
InChI=1S/C21H22N6O/c1-26(2)11-12-28-17-7-8-19(22-14-17)25-20-13-21(24-15-23-20)27-10-9-16-5-3-4-6-18(16)27/h3-10,13-15H,11-12H2,1-2H3,(H,22,23,24,25)
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| InChIKey |
JCMNYBKEMOQWKZ-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