General Information of the Compound
| Compound ID |
CP0472563
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| Compound Name |
N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-phenylpyrimidin-4-amine
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| Formula |
C19H16F3N3O
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| Molecular Weight |
359.351
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| Canonical SMILES |
COc1ccc(Nc2cc(C)nc(n2)-c2ccccc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C19H16F3N3O/c1-12-10-17(25-18(23-12)13-6-4-3-5-7-13)24-14-8-9-16(26-2)15(11-14)19(20,21)22/h3-11H,1-2H3,(H,23,24,25)
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| InChIKey |
OXAJNGNEEZUPQQ-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