General Information of the Compound
| Compound ID |
CP0189636
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| Compound Name |
N-tert-butyl-2-[1-[3-(3-cyanoazetidin-1-yl)propyl]-5-(difluoromethoxy)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
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| Structure |
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| Formula |
C26H28F2N8O2
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| Molecular Weight |
522.56
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| Canonical SMILES |
CC(C)(C)NC(=O)c1c[nH]c2ncc(nc12)-c1nn(CCCN2CC(C2)C#N)c2ccc(OC(F)F)cc12
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| InChI |
InChI=1S/C26H28F2N8O2/c1-26(2,3)33-24(37)18-11-30-23-22(18)32-19(12-31-23)21-17-9-16(38-25(27)28)5-6-20(17)36(34-21)8-4-7-35-13-15(10-29)14-35/h5-6,9,11-12,15,25H,4,7-8,13-14H2,1-3H3,(H,30,31)(H,33,37)
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| InChIKey |
QDEXGWDKHGXMCI-UHFFFAOYSA-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