General Information of the Compound
| Compound ID |
CP0087616
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| Compound Name |
3-[[4-(2-morpholin-4-ylpyridin-4-yl)pyrimidin-2-yl]amino]benzonitrile
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| Structure |
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| Formula |
C20H18N6O
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| Molecular Weight |
358.405
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| Canonical SMILES |
N#Cc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
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| InChI |
InChI=1S/C20H18N6O/c21-14-15-2-1-3-17(12-15)24-20-23-7-5-18(25-20)16-4-6-22-19(13-16)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,23,24,25)
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| InChIKey |
NXSQPOJZYAFZHL-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