General Information of the Compound
| Compound ID |
CP0880934
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| Compound Name |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(3-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)tetrahydro-2H-pyran-3-amine
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| Structure |
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| Formula |
C17H20F2N4O3S
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| Molecular Weight |
398.435
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| Canonical SMILES |
CS(=O)(=O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2
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| InChI |
InChI=1S/C17H20F2N4O3S/c1-27(24,25)17-12-6-23(7-15(12)21-22-17)10-5-14(20)16(26-8-10)11-4-9(18)2-3-13(11)19/h2-4,10,14,16H,5-8,20H2,1H3,(H,21,22)/t10-,14+,16-/m1/s1
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| InChIKey |
HROYAMOEBRTOCA-FUEDEBDSSA-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