General Information of the Compound
| Compound ID |
CP0726180
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| Compound Name |
N,N-dimethyl-4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazine-1-sulfonamide
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| Structure |
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| Formula |
C17H22N8O4S
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| Molecular Weight |
434.482
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C17H22N8O4S/c1-12-13(16(27)22-7-9-23(10-8-22)30(28,29)21(2)3)11-18-25(12)17-19-15(26)14-5-4-6-24(14)20-17/h4-6,11H,7-10H2,1-3H3,(H,19,20,26)
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| InChIKey |
DEKXZRDBBZCZDS-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