General Information of the Compound
| Compound ID |
CP0534852
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| Compound Name |
4-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
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| Formula |
C18H15N5
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| Molecular Weight |
301.353
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| Canonical SMILES |
CNc1cc(Nc2ccc(cc2)C#N)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C18H15N5/c1-20-16-11-17(21-15-9-7-13(12-19)8-10-15)23-18(22-16)14-5-3-2-4-6-14/h2-11H,1H3,(H2,20,21,22,23)
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| InChIKey |
SBFVGZLRYYBGLD-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2