General Information of the Compound
| Compound ID |
CP0558943
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| Compound Name |
4-[[4-[(2-methoxyphenyl)methoxy]pyrimidin-2-yl]amino]benzonitrile
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| Structure |
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| Formula |
C19H16N4O2
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| Molecular Weight |
332.363
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| Canonical SMILES |
COc1ccccc1COc1ccnc(Nc2ccc(cc2)C#N)n1
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| InChI |
InChI=1S/C19H16N4O2/c1-24-17-5-3-2-4-15(17)13-25-18-10-11-21-19(23-18)22-16-8-6-14(12-20)7-9-16/h2-11H,13H2,1H3,(H,21,22,23)
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| InChIKey |
XPTUWRXPGUGXJK-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