General Information of the Compound
| Compound ID |
CP0472568
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| Compound Name |
N-(3-fluoro-4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
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| Formula |
C18H16FN3O
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| Molecular Weight |
309.344
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| Canonical SMILES |
COc1ccc(Nc2cc(C)nc(n2)-c2ccccc2)cc1F
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| InChI |
InChI=1S/C18H16FN3O/c1-12-10-17(21-14-8-9-16(23-2)15(19)11-14)22-18(20-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,22)
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| InChIKey |
XCIXUNSMHDUYOL-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