General Information of the Compound
| Compound ID |
CP0480918
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| Compound Name |
4-[(4-phenylmethoxypyrimidin-2-yl)amino]benzonitrile
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| Structure |
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| Formula |
C18H14N4O
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| Molecular Weight |
302.337
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| Canonical SMILES |
N#Cc1ccc(Nc2nccc(OCc3ccccc3)n2)cc1
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| InChI |
InChI=1S/C18H14N4O/c19-12-14-6-8-16(9-7-14)21-18-20-11-10-17(22-18)23-13-15-4-2-1-3-5-15/h1-11H,13H2,(H,20,21,22)
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| InChIKey |
DBDUIVURJORLJT-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