General Information of the Compound
| Compound ID |
CP0946601
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| Compound Name |
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(1-(1-methyl-1H-imidazol-4-ylsulfonyl)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 |
C20H22F2N6O3S
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| Molecular Weight |
464.498
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| Canonical SMILES |
Cn1cnc(S(=O)(=O)n2ncc3c2CN([C@H]2CO[C@H](c4cc(F)ccc4F)[C@@H](N)C2)C3)c1
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| InChI |
InChI=1S/C20H22F2N6O3S/c1-26-9-19(24-11-26)32(29,30)28-18-8-27(7-12(18)6-25-28)14-5-17(23)20(31-10-14)15-4-13(21)2-3-16(15)22/h2-4,6,9,11,14,17,20H,5,7-8,10,23H2,1H3/t14-,17+,20-/m1/s1
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| InChIKey |
XDHIASBVSHJROH-CFLQYTFWSA-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