General Information of the Compound
| Compound ID |
CP0745021
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| Compound Name |
N-(1-isopropyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1H-pyrazol-5-yl)-5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C20H19F3N8O2
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| Molecular Weight |
460.42
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| Canonical SMILES |
C=C(c1cnn(C(C)C)c1NC(=O)c1cnn(-c2nn3cccc3c(=O)[nH]2)c1C)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N8O2/c1-10(2)30-16(13(8-24-30)11(3)20(21,22)23)26-17(32)14-9-25-31(12(14)4)19-27-18(33)15-6-5-7-29(15)28-19/h5-10H,3H2,1-2,4H3,(H,26,32)(H,27,28,33)
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| InChIKey |
NJXMSQDJAYZXPM-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