General Information of the Compound
| Compound ID |
CP0466200
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| Compound Name |
2-methyl-4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]benzonitrile
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| Formula |
C19H16N4
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| Molecular Weight |
300.365
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| Canonical SMILES |
Cc1cc(Nc2ccc(C#N)c(C)c2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C19H16N4/c1-13-10-17(9-8-16(13)12-20)22-18-11-14(2)21-19(23-18)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,21,22,23)
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| InChIKey |
LYASFKGUAVXXBK-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
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2