General Information of the Compound
| Compound ID |
CP0315005
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| Compound Name |
(6E)-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-ylidene]-4-methyl-1-cyclohexa-2,4-dienone
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| Structure |
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| Formula |
C17H16N2O2
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| Molecular Weight |
280.327
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| Canonical SMILES |
COc1ccc(cc1)-c1cc(n[nH]1)-c1cc(C)ccc1O
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| InChI |
InChI=1S/C17H16N2O2/c1-11-3-8-17(20)14(9-11)16-10-15(18-19-16)12-4-6-13(21-2)7-5-12/h3-10,20H,1-2H3,(H,18,19)
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| InChIKey |
FAXASVFSGHQOHP-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2