General Information of the Compound
| Compound ID |
CP0472383
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| Compound Name |
N-[5-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-2,2,2-trifluoroethanesulfonamide
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| Structure |
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| Formula |
C18H20F5N5O3S
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| Molecular Weight |
481.447
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| Canonical SMILES |
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)CC(F)(F)F)c2C1
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| InChI |
InChI=1S/C18H20F5N5O3S/c19-9-1-2-13(20)11(3-9)16-14(24)4-10(7-31-16)28-5-12-15(6-28)25-26-17(12)27-32(29,30)8-18(21,22)23/h1-3,10,14,16H,4-8,24H2,(H2,25,26,27)/t10-,14+,16-/m1/s1
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| InChIKey |
NDTBETBUNMGIEA-FUEDEBDSSA-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