General Information of the Compound
| Compound ID |
CP0029017
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| Compound Name |
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C27H27N7O4
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| Molecular Weight |
513.558
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| Canonical SMILES |
CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4[nH]cc(C(=O)N[C@H](C5CC5)C(=O)N5CC(C5)C#N)c4n3)cc12
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| InChI |
InChI=1S/C27H27N7O4/c1-14(35)31-21-7-5-16-4-6-18(8-19(16)21)38-22-11-30-25-24(32-22)20(10-29-25)26(36)33-23(17-2-3-17)27(37)34-12-15(9-28)13-34/h4,6,8,10-11,15,17,21,23H,2-3,5,7,12-13H2,1H3,(H,29,30)(H,31,35)(H,33,36)/t21-,23-/m1/s1
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| InChIKey |
KGNIKVYPAXDZAZ-FYYLOGMGSA-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