General Information of the Compound
| Compound ID |
CP0947191
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| Compound Name |
2-(4-(4-(isopropylsulfonyl)piperidine-1-carbonyl)-5-methyl-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 |
C19H24N6O4S
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| Molecular Weight |
432.506
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(S(=O)(=O)C(C)C)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H24N6O4S/c1-12(2)30(28,29)14-6-9-23(10-7-14)18(27)15-11-20-25(13(15)3)19-21-17(26)16-5-4-8-24(16)22-19/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3,(H,21,22,26)
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| InChIKey |
IQGGVIOSOCCZIS-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