General Information of the Compound
| Compound ID |
CP0246051
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| Compound Name |
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine
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| Structure |
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| Formula |
C18H13F3N6O
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| Molecular Weight |
386.337
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| Canonical SMILES |
COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H13F3N6O/c1-28-13-8-11(18(19,20)21)7-12(9-13)25-17-22-6-4-15(26-17)14-10-24-27-16(14)3-2-5-23-27/h2-10H,1H3,(H,22,25,26)
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| InChIKey |
GBYZMXCPDFNNOB-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