General Information of the Compound
| Compound ID |
CP0838157
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| Compound Name |
(R)-tert-butyl 2-methyl-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 |
C21H27N7O4
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| Molecular Weight |
441.492
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H27N7O4/c1-13-12-25(9-10-26(13)20(31)32-21(3,4)5)18(30)15-11-22-28(14(15)2)19-23-17(29)16-7-6-8-27(16)24-19/h6-8,11,13H,9-10,12H2,1-5H3,(H,23,24,29)/t13-/m1/s1
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| InChIKey |
XHLZTHZKZFWKBK-CYBMUJFWSA-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