General Information of the Compound
| Compound ID |
CP0253093
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| Compound Name |
2-fluoro-4-[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzamide
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| Structure |
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| Formula |
C20H16FN5O2
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| Molecular Weight |
377.379
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| Canonical SMILES |
CNC(=O)c1ccc(cc1F)-c1ccc2nnc(Cc3ccc(O)cc3)n2n1
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| InChI |
InChI=1S/C20H16FN5O2/c1-22-20(28)15-7-4-13(11-16(15)21)17-8-9-18-23-24-19(26(18)25-17)10-12-2-5-14(27)6-3-12/h2-9,11,27H,10H2,1H3,(H,22,28)
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| InChIKey |
JVXCIXCMMVMPGG-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