General Information of the Compound
| Compound ID |
CP0689873
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| Compound Name |
3-(4-(4-(diethylamino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-6-methyl-1,2,4-triazin-5(4H)-one
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| Structure |
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| Formula |
C19H22N6O2
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| Molecular Weight |
366.425
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| Canonical SMILES |
CCN(CC)c1ccc(/C=C2\C(=O)N(c3nnc(C)c(O)n3)N=C2C)cc1
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| InChI |
InChI=1S/C19H22N6O2/c1-5-24(6-2)15-9-7-14(8-10-15)11-16-12(3)23-25(18(16)27)19-20-17(26)13(4)21-22-19/h7-11H,5-6H2,1-4H3,(H,20,22,26)/b16-11-
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| InChIKey |
DPBQSCCTZVVUPC-WJDWOHSUSA-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: PT04036, Natural resistance-associated macrophage protein 2