General Information of the Compound
| Compound ID |
CP0472565
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| Compound Name |
6-methyl-N-(4-nitrophenyl)-2-phenylpyrimidin-4-amine
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| Structure |
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| Formula |
C17H14N4O2
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| Molecular Weight |
306.325
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| Canonical SMILES |
Cc1cc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C17H14N4O2/c1-12-11-16(19-14-7-9-15(10-8-14)21(22)23)20-17(18-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
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| InChIKey |
WYLAKENCXDLFIA-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
Protein ID: PT02516, Multidrug resistance-associated protein 1