General Information of the Compound
| Compound ID |
CP0267762
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| Compound Name |
N-[6-[2-(methylamino)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
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| Structure |
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| Formula |
C22H22N8O
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| Molecular Weight |
414.473
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| Canonical SMILES |
CNc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1
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| InChI |
InChI=1S/C22H22N8O/c1-23-21-25-12-16(13-26-21)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-17-10-15-4-2-3-5-18(15)24-14-17/h2-5,10-14H,6-9H2,1H3,(H,23,25,26)(H,27,28,29)
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| InChIKey |
JIPRSFBAFUWPLO-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