General Information of the Compound
| Compound ID |
CP0466210
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| Compound Name |
N-(3-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
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| Structure |
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| Formula |
C17H14FN3
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| Molecular Weight |
279.318
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| Canonical SMILES |
Cc1cc(Nc2cccc(F)c2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C17H14FN3/c1-12-10-16(20-15-9-5-8-14(18)11-15)21-17(19-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,19,20,21)
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| InChIKey |
QFDCRSOMDVOYKL-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
Protein ID: PT02516, Multidrug resistance-associated protein 1