General Information of the Compound
| Compound ID |
CP0410359
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| Compound Name |
3-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
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| Structure |
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| Formula |
C18H14N4
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| Molecular Weight |
286.338
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| Canonical SMILES |
Cc1cc(Nc2cccc(c2)C#N)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C18H14N4/c1-13-10-17(21-16-9-5-6-14(11-16)12-19)22-18(20-13)15-7-3-2-4-8-15/h2-11H,1H3,(H,20,21,22)
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| InChIKey |
YHCKBVZVYGVQSY-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