General Information of the Compound
| Compound ID |
CP0444105
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| Compound Name |
4-[(6-anilino-2-phenylpyrimidin-4-yl)amino]benzonitrile
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| Formula |
C23H17N5
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| Molecular Weight |
363.424
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| Canonical SMILES |
N#Cc1ccc(Nc2cc(Nc3ccccc3)nc(n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H17N5/c24-16-17-11-13-20(14-12-17)26-22-15-21(25-19-9-5-2-6-10-19)27-23(28-22)18-7-3-1-4-8-18/h1-15H,(H2,25,26,27,28)
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| InChIKey |
BWYHEQPPVBBSPR-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