General Information of the Compound
| Compound ID |
CP0465767
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| Compound Name |
(6E)-4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methyl-2-benzimidazolyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
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| Structure |
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| Formula |
C20H20N4O2
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| Molecular Weight |
348.406
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| Canonical SMILES |
CCc1cc(-c2n[nH]c(C)c2-c2nc3ccccc3n2C)c(O)cc1O
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| InChI |
InChI=1S/C20H20N4O2/c1-4-12-9-13(17(26)10-16(12)25)19-18(11(2)22-23-19)20-21-14-7-5-6-8-15(14)24(20)3/h5-10,25-26H,4H2,1-3H3,(H,22,23)
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| InChIKey |
APQCBAKMOBMKMP-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: PT06124, Paired box protein Pax-8