General Information of the Compound
| Compound ID |
CP0768922
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| Compound Name |
2-(4-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)piperazin-1-ylsulfonyl)benzonitrile
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| Structure |
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| Formula |
C22H20N8O4S
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| Molecular Weight |
492.521
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H20N8O4S/c1-15-17(14-24-30(15)22-25-20(31)18-6-4-8-29(18)26-22)21(32)27-9-11-28(12-10-27)35(33,34)19-7-3-2-5-16(19)13-23/h2-8,14H,9-12H2,1H3,(H,25,26,31)
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| InChIKey |
HCOODFVCOBGUJF-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