General Information of the Compound
| Compound ID |
CP0761085
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| Compound Name |
(R)-tert-butyl methyl(1-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl)carbamate
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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)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H27N7O4/c1-13-15(11-22-28(13)19-23-17(29)16-7-6-9-27(16)24-19)18(30)26-10-8-14(12-26)25(5)20(31)32-21(2,3)4/h6-7,9,11,14H,8,10,12H2,1-5H3,(H,23,24,29)/t14-/m1/s1
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| InChIKey |
SSPTXLBVVNUJHQ-CQSZACIVSA-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