General Information of the Compound
| Compound ID |
CP0688614
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| Compound Name |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-(ethylsulfonyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine
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| Structure |
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| Formula |
C18H22F2N4O3S
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| Molecular Weight |
412.462
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| Canonical SMILES |
CCS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
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| InChI |
InChI=1S/C18H22F2N4O3S/c1-2-28(25,26)24-8-11-7-23(9-17(11)22-24)13-6-16(21)18(27-10-13)14-5-12(19)3-4-15(14)20/h3-5,8,13,16,18H,2,6-7,9-10,21H2,1H3/t13-,16+,18-/m1/s1
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| InChIKey |
GEWSELRSYBADTB-RPVQJOFSSA-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