General Information of the Compound
| Compound ID |
CP0745032
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| Compound Name |
2-(5-methyl-4-(4-(thiophen-2-ylsulfonyl)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 |
C19H19N7O4S2
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| Molecular Weight |
473.54
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H19N7O4S2/c1-13-14(12-20-26(13)19-21-17(27)15-4-2-6-25(15)22-19)18(28)23-7-9-24(10-8-23)32(29,30)16-5-3-11-31-16/h2-6,11-12H,7-10H2,1H3,(H,21,22,27)
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| InChIKey |
WDRNZDQOUZNRNR-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