General Information of the Compound
| Compound ID |
CP0059208
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| Compound Name |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine
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| Structure |
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| Formula |
C16H18F2N4O
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| Molecular Weight |
320.343
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| Canonical SMILES |
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1
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| InChI |
InChI=1S/C16H18F2N4O/c17-10-1-2-13(18)12(3-10)16-14(19)4-11(8-23-16)22-6-9-5-20-21-15(9)7-22/h1-3,5,11,14,16H,4,6-8,19H2,(H,20,21)/t11-,14+,16-/m1/s1
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| InChIKey |
JFUBTJMMAHQVJI-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