General Information of the Compound
| Compound ID |
CP0521098
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| Compound Name |
4-[[4-(naphthalen-1-ylmethoxy)pyrimidin-2-yl]amino]benzonitrile
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| Structure |
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| Formula |
C22H16N4O
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| Molecular Weight |
352.397
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| Canonical SMILES |
N#Cc1ccc(Nc2nccc(OCc3cccc4ccccc34)n2)cc1
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| InChI |
InChI=1S/C22H16N4O/c23-14-16-8-10-19(11-9-16)25-22-24-13-12-21(26-22)27-15-18-6-3-5-17-4-1-2-7-20(17)18/h1-13H,15H2,(H,24,25,26)
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| InChIKey |
ZNQMQFYMJMBCPL-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