General Information of the Compound
| Compound ID |
CP0966136
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| Compound Name |
2-(5-methyl-4-(4-(2-(methylsulfonyl)ethyl)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 |
Cc1c(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H23N7O4S/c1-13-14(17(27)23-8-6-22(7-9-23)10-11-30(2,28)29)12-19-25(13)18-20-16(26)15-4-3-5-24(15)21-18/h3-5,12H,6-11H2,1-2H3,(H,20,21,26)
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| InChIKey |
LJRKICMINZDFQA-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