General Information of the Compound
| Compound ID |
CP0541386
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| Compound Name |
4-[[4-[(3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]benzonitrile
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| Structure |
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| Formula |
C20H18N4O3
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| Molecular Weight |
362.389
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| Canonical SMILES |
COc1cc(COc2ccnc(Nc3ccc(cc3)C#N)n2)cc(OC)c1
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| InChI |
InChI=1S/C20H18N4O3/c1-25-17-9-15(10-18(11-17)26-2)13-27-19-7-8-22-20(24-19)23-16-5-3-14(12-21)4-6-16/h3-11H,13H2,1-2H3,(H,22,23,24)
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| InChIKey |
NRHUWGOITVGOSF-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