General Information of the Compound
| Compound ID |
CP0716732
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| Compound Name |
N-(5-((3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-1H-imidazole-4-sulfonamide
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| Structure |
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| Formula |
C19H21F2N7O3S
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| Molecular Weight |
465.486
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| Canonical SMILES |
N[C@H]1C[C@@H](N2Cc3[nH]nc(NS(=O)(=O)c4c[nH]cn4)c3C2)CO[C@@H]1c1cc(F)ccc1F
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| InChI |
InChI=1S/C19H21F2N7O3S/c20-10-1-2-14(21)12(3-10)18-15(22)4-11(8-31-18)28-6-13-16(7-28)25-26-19(13)27-32(29,30)17-5-23-9-24-17/h1-3,5,9,11,15,18H,4,6-8,22H2,(H,23,24)(H2,25,26,27)/t11-,15+,18-/m1/s1
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| InChIKey |
OBFQSMGSTYZEFW-DJCROIMJSA-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