General Information of the Compound
| Compound ID |
CP0472567
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| Compound Name |
4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
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| Formula |
C19H13N5
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| Molecular Weight |
311.348
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| Canonical SMILES |
Cc1cc(Nc2ccc(C#N)c(c2)C#N)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C19H13N5/c1-13-9-18(24-19(22-13)14-5-3-2-4-6-14)23-17-8-7-15(11-20)16(10-17)12-21/h2-10H,1H3,(H,22,23,24)
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| InChIKey |
IJFNBSAYLVYVEV-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