General Information of the Compound
| Compound ID |
CP0487638
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| Compound Name |
2-[4-[(6-methyl-2-phenylpyrimidin-4-yl)amino]phenyl]acetonitrile
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| Formula |
C19H16N4
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| Molecular Weight |
300.365
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| Canonical SMILES |
Cc1cc(Nc2ccc(CC#N)cc2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C19H16N4/c1-14-13-18(22-17-9-7-15(8-10-17)11-12-20)23-19(21-14)16-5-3-2-4-6-16/h2-10,13H,11H2,1H3,(H,21,22,23)
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| InChIKey |
IWHRIAMDEODAMD-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