General Information of the Compound
| Compound ID |
CP0169665
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| Compound Name |
2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C18H20N6O3
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| Molecular Weight |
368.397
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| Canonical SMILES |
CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1C#N
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| InChI |
InChI=1S/C18H20N6O3/c1-20-16-13(10-19)11-21-18(23-16)22-14-4-3-12(9-15(14)26-2)17(25)24-5-7-27-8-6-24/h3-4,9,11H,5-8H2,1-2H3,(H2,20,21,22,23)
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| InChIKey |
LYEWAGXEEPXHOF-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