General Information of the Compound
| Compound ID |
CP0829381
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| Compound Name |
(1R,5S)-tert-butyl 3-(5-methyl-1-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)-1H-pyrazole-4-carbonyl)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
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| Structure |
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| Formula |
C21H25N7O4
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| Molecular Weight |
439.476
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| Canonical SMILES |
Cc1c(C(=O)N2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H25N7O4/c1-12-14(8-22-28(12)19-23-17(29)15-6-5-7-27(15)24-19)18(30)25-9-13-10-26(16(13)11-25)20(31)32-21(2,3)4/h5-8,13,16H,9-11H2,1-4H3,(H,23,24,29)/t13-,16-/m1/s1
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| InChIKey |
KWNWRIVERQRMKC-CZUORRHYSA-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