General Information of the Compound
| Compound ID |
CP0721047
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| Compound Name |
2-(5-methyl-4-(4-(propylsulfonyl)piperazine-1-carbonyl)-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C18H23N7O4S
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| Molecular Weight |
433.494
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| Canonical SMILES |
CCCS(=O)(=O)N1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
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| InChI |
InChI=1S/C18H23N7O4S/c1-3-11-30(28,29)23-9-7-22(8-10-23)17(27)14-12-19-25(13(14)2)18-20-16(26)15-5-4-6-24(15)21-18/h4-6,12H,3,7-11H2,1-2H3,(H,20,21,26)
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| InChIKey |
QKWZDCUTBZBHRP-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