General Information of the Compound
| Compound ID |
CP0064959
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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]-1-pyridin-4-ylmethanesulfonamide
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| Structure |
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| Formula |
C22H24F2N6O3S
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| Molecular Weight |
490.536
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| Canonical SMILES |
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)Cc3ccncc3)c2C1
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| InChI |
InChI=1S/C22H24F2N6O3S/c23-14-1-2-18(24)16(7-14)21-19(25)8-15(11-33-21)30-9-17-20(10-30)27-28-22(17)29-34(31,32)12-13-3-5-26-6-4-13/h1-7,15,19,21H,8-12,25H2,(H2,27,28,29)/t15-,19+,21-/m1/s1
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| InChIKey |
OHDVTPZUIWTUEC-MFMILTCTSA-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