General Information of the Compound
| Compound ID |
CP0839518
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| Compound Name |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-(trifluoromethylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine
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| Structure |
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| Formula |
C17H17F5N4O3S
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| Molecular Weight |
452.405
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| Canonical SMILES |
N[C@H]1C[C@@H](N2Cc3cn(S(=O)(=O)C(F)(F)F)nc3C2)CO[C@@H]1c1cc(F)ccc1F
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| InChI |
InChI=1S/C17H17F5N4O3S/c18-10-1-2-13(19)12(3-10)16-14(23)4-11(8-29-16)25-5-9-6-26(24-15(9)7-25)30(27,28)17(20,21)22/h1-3,6,11,14,16H,4-5,7-8,23H2/t11-,14+,16-/m1/s1
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| InChIKey |
PPSPTBICLQCIEZ-DIOULYMOSA-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
Protein ID: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8