General Information of the Compound
| Compound ID |
CP0472609
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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]cyclopropanesulfonamide
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| Structure |
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| Formula |
C19H23F2N5O3S
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| Molecular Weight |
439.488
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| Canonical SMILES |
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NS(=O)(=O)C3CC3)c2C1
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| InChI |
InChI=1S/C19H23F2N5O3S/c20-10-1-4-15(21)13(5-10)18-16(22)6-11(9-29-18)26-7-14-17(8-26)23-24-19(14)25-30(27,28)12-2-3-12/h1,4-5,11-12,16,18H,2-3,6-9,22H2,(H2,23,24,25)/t11-,16+,18-/m1/s1
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| InChIKey |
MTWMNXHWLLADAU-DPZKZMLUSA-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