General Information of the Compound
| Compound ID |
CP0388544
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| Compound Name |
6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C14H10F3N5O
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| Molecular Weight |
321.262
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| Canonical SMILES |
FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1
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| InChI |
InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)
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| InChIKey |
YQXVNNKJNHKVLW-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