General Information of the Compound
| Compound ID |
CP0868871
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| Compound Name |
(R)-tert-butyl methyl(1-(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 |
C20H25N7O4
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| Molecular Weight |
427.465
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| Canonical SMILES |
CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2)C1
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| InChI |
InChI=1S/C20H25N7O4/c1-20(2,3)31-19(30)24(4)14-7-9-25(12-14)17(29)13-10-21-27(11-13)18-22-16(28)15-6-5-8-26(15)23-18/h5-6,8,10-11,14H,7,9,12H2,1-4H3,(H,22,23,28)/t14-/m1/s1
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| InChIKey |
AWANBEUJJHIXKK-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