General Information of the Compound
| Compound ID |
CP0944131
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| Compound Name |
tert-butyl 3,3-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-carboxylate
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| Structure |
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| Formula |
C22H29N7O4
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| Molecular Weight |
455.519
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C22H29N7O4/c1-14-15(12-23-29(14)19-24-17(30)16-8-7-9-28(16)25-19)18(31)27-11-10-26(13-22(27,5)6)20(32)33-21(2,3)4/h7-9,12H,10-11,13H2,1-6H3,(H,24,25,30)
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| InChIKey |
FQGXPRWONFCYHG-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