General Information of the Compound
| Compound ID |
CP0498378
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| Compound Name |
(6S)-5-N-(2,6-difluoropyridin-4-yl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
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| Structure |
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| Formula |
C17H17F5N6O2
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| Molecular Weight |
432.353
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| Canonical SMILES |
C[C@@H](NC(=O)c1cnn2C[C@H](C)N(Cc12)C(=O)Nc1cc(F)nc(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C17H17F5N6O2/c1-8-6-28-12(11(5-23-28)15(29)24-9(2)17(20,21)22)7-27(8)16(30)25-10-3-13(18)26-14(19)4-10/h3-5,8-9H,6-7H2,1-2H3,(H,24,29)(H,25,26,30)/t8-,9+/m0/s1
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| InChIKey |
UTJKKDOFZOYSIG-DTWKUNHWSA-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